Vitas-M small molecule compound
(5Z)-5-(1,3-benzodioxol-5-ylmethylidene)-3-{[(3-nitrophenyl)amino]methyl}-1,3-thiazolidine-2,4-dione
Catalog ID
STL443349
SMILES O=C1S/C(=C\c2ccc3c(c2)OCO3)/C(=O)N1CNc1cccc(c1)[N+](=O)[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 C18H13N3O6S MW 399.38 g/mol Purity >90% as per NMR
InChI
InChI=1S/C18H13N3O6S/c22-17-16(7-11-4-5-14-15(6-11)27-10-26-14)28-18(23)20(17)9-19-12-2-1-3-13(8-12)21(24)25/h1-8,19H,9-10H2/b16-7-InChIKey
BATWEGRVTRMRHV-APSNUPSMSA-NSynonyms
(5Z)5(13benzodioxol5ylmethylidene)3(((3nitrophenyl)amino)methyl)13thiazolidine24dione
(5Z)5(13benzodioxol5ylmethylidene)3((3nitroanilino)methyl)13thiazolidine24dione
C1OC2=C(O1)C=C(C=C2)C=C3C(=O)N(C(=O)S3)CNC4=CC(=CC=C4)(N+)(=O)(O)
InChI=1SC18H13N3O6Sc221716(711451415(611)27102614)2818(23)20(17)9191221313(812)21(24)25h1819H910H2b167
MFCD30712552
O=C1SC(=Cc2ccc3c(c2)OCO3)C(=O)N1CNc1cccc(c1)(N+)(=O)(O)
ZINC000006045203
ZINC6045203
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