Vitas-M small molecule compound
(2E)-2-[4-(6-bromo-2-oxo-2H-chromen-3-yl)-1,3-thiazol-2-yl]-3-[(2-nitrophenyl)amino]prop-2-enenitrile
Catalog ID
STK898371
SMILES N#C/C(=C\Nc1ccccc1[N+](=O)[O-])/c1scc(n1)c1cc2cc(Br)ccc2oc1=O
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We supply compounds in quantities from 1 mg up to 5 g for research and development purposes only.
We do not supply quantities above 5 g.
Structure and other identifiers
2D representation rendered from the SMILES, with core physicochemical data.Formula C21H11BrN4O4S MW 495.31 g/mol Purity >90% as per NMR
InChI
InChI=1S/C21H11BrN4O4S/c22-14-5-6-19-12(7-14)8-15(21(27)30-19)17-11-31-20(25-17)13(9-23)10-24-16-3-1-2-4-18(16)26(28)29/h1-8,10-11,24H/b13-10+InChIKey
HAIYPNZODNBTDU-JLHYYAGUSA-NSynonyms
(2E)2(4(6bromo2oxo2Hchromen3yl)13thiazol2yl)3((2nitrophenyl)amino)prop2enenitrile
(E)2(4(6BROMO2OXOCHROMEN3YL)13THIAZOL2YL)3(2NITROANILINO)PROP2ENENITRILE
C1=CC=C(C(=C1)NC=C(C#N)C2=NC(=CS2)C3=CC4=C(C=CC(=C4)Br)OC3=O)(N+)(=O)(O)
InChI=1SC21H11BrN4O4Sc2214561912(714)815(21(27)3019)17113120(2517)13(923)102416312418(16)26(28)29h18101124Hb1310+
MFCD01455096
N#CC(=CNc1ccccc1(N+)(=O)(O))c1scc(n1)c1cc2cc(Br)ccc2oc1=O
ZINC000008387212
ZINC08387212
ZINC8387212
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