Vitas-M small molecule compound
4-[(5Z)-5-(4-methylbenzylidene)-4-oxo-2-thioxo-1,3-thiazolidin-3-yl]-N-(2-nitrophenyl)butanamide
Catalog ID
STK837537
SMILES O=C(Nc1ccccc1[N+](=O)[O-])CCCN1C(=S)S/C(=C\c2ccc(cc2)C)/C1=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 C21H19N3O4S2 MW 441.53 g/mol Purity >90% as per NMR
InChI
InChI=1S/C21H19N3O4S2/c1-14-8-10-15(11-9-14)13-18-20(26)23(21(29)30-18)12-4-7-19(25)22-16-5-2-3-6-17(16)24(27)28/h2-3,5-6,8-11,13H,4,7,12H2,1H3,(H,22,25)/b18-13-InChIKey
QGCWDBKKBREGMC-AQTBWJFISA-NSynonyms
(Z)4(5(4methylbenzylidene)4oxo2thioxothiazolidin3yl)N(2nitrophenyl)butanamide
4((5Z)5((4METHYLPHENYL)METHYLIDENE)4OXO2SULFANYLIDENE13THIAZOLIDIN3YL)N(2NITROPHENYL)BUTANAMIDE
4((5Z)5(4methylbenzylidene)4oxo2thioxo13thiazolidin3yl)N(2nitrophenyl)butanamide
CC1=CC=C(C=C1)C=C2C(=O)N(C(=S)S2)CCCC(=O)NC3=CC=CC=C3(N+)(=O)(O)
InChI=1SC21H19N3O4S2c11481015(11914)131820(26)23(21(29)3018)124719(25)2216523617(16)24(27)28h235681113H4712H21H3(H2225)b1813
MFCD02369925
O=C(Nc1ccccc1(N+)(=O)(O))CCCN1C(=S)SC(=Cc2ccc(cc2)C)C1=O
ZINC000008714024
ZINC08714024
ZINC8714024
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