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CAS Number: 487021-52-3
1-(4-methoxybenzyl)-3-(5-nitrothiazol-2-yl)ureaInChI InChI=1S/C12H12N4O4S/c1-20-9-4-2-8(3-5-9)6-13-11(17)15-12-14-7-10(21-12)16(18)19/h2-5,7H,6H2,1H3,(H2,13,14,15,17)

Structure

 1-(4-methoxybenzyl)-3-(5-nitrothiazol-2-yl)ureaInChI InChI=1S/C12H12N4O4S/c1-20-9-4-2-8(3-5-9)6-13-11(17)15-12-14-7-10(21-12)16(18)19/h2-5,7H,6H2,1H3,(H2,13,14,15,17)
Name: 1-(4-methoxybenzyl)-3-(5-nitrothiazol-2-yl)ureaInChI InChI=1S/C12H12N4O4S/c1-20-9-4-2-8(3-5-9)6-13-11(17)15-12-14-7-10(21-12)16(18)19/h2-5,7H,6H2,1H3,(H2,13,14,15,17)
Synonyms:
General Information
Product Number: 487021523

CAS Registry Number 487021-52-3
Name:
Urea, N-?[(4-?methoxyphenyl)?methyl]?-?N'-?(5-?nitro-?2-?thiazolyl)?-
N-[(4-Methoxyphenyl)methyl]-N'-(5-nitro-2-thiazolyl)urea
AR 0133418
AR 014418
AR-AO 14418
GSK 3B Inhibitor VIII

 

Chemical Formula: C12H12N4O4S
Exact Mass: 308.06
Molecular Weight: 308.31
m/z: 308.06 (100.0%), 309.06 (14.1%), 310.05 (4.5%), 310.06 (1.9%), 309.05 (1.5%)

 

InChI:InChI=1S/C12H12N4O4S/c1-20-9-4-2-8(3-5-9)6-13-11(17)15-12-14-7-10(21-12)16(18)19/h2-5,7H,6H2,1H3,(H2,13,14,15,17)

InChI Key:YAEMHJKFIIIULI-UHFFFAOYSA-N

Canonical SMILES:COC1=CC=C(C=C1)CNC(=O)NC2=NC=C(S2)[N+](=O)[O-]

 

Thermal Properties Value Condition Note
Melting Point 211-213 °C   (1)CAS

Specification

98%
References
  1. (1) Lo Monte, Fabio; Bioorganic & Medicinal Chemistry Letters 2011, V21(18), P5610-5615 CAPLUS
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