Vitas-M small molecule compound
3-({4-[(5Z)-5-(2-chlorobenzylidene)-4-oxo-2-thioxo-1,3-thiazolidin-3-yl]butanoyl}amino)benzoic acid
Catalog ID
STK532866
SMILES O=C(Nc1cccc(c1)C(=O)O)CCCN1C(=S)S/C(=C\c2ccccc2Cl)/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 C21H17ClN2O4S2 MW 460.96 g/mol Purity >90% as per NMR
InChI
InChI=1S/C21H17ClN2O4S2/c22-16-8-2-1-5-13(16)12-17-19(26)24(21(29)30-17)10-4-9-18(25)23-15-7-3-6-14(11-15)20(27)28/h1-3,5-8,11-12H,4,9-10H2,(H,23,25)(H,27,28)/b17-12-InChIKey
TYYWMUXBHFUOLK-ATVHPVEESA-NSynonyms
(Z)3(4(5(2chlorobenzylidene)4oxo2thioxothiazolidin3yl)butanamido)benzoicacid
3((4((5Z)5(2chlorobenzylidene)4oxo2thioxo13thiazolidin3yl)butanoyl)amino)benzoicacid
3(4((5Z)5((2CHLOROPHENYL)METHYLIDENE)4OXO2SULFANYLIDENE13THIAZOLIDIN3YL)BUTANOYLAMINO)BENZOICACID
C1=CC=C(C(=C1)C=C2C(=O)N(C(=S)S2)CCCC(=O)NC3=CC=CC(=C3)C(=O)O)Cl
InChI=1SC21H17ClN2O4S2c2216821513(16)121719(26)24(21(29)3017)104918(25)231573614(1115)20(27)28h13581112H4910H2(H2325)(H2728)b1712
MFCD02370050
O=C(Nc1cccc(c1)C(=O)O)CCCN1C(=S)SC(=Cc2ccccc2Cl)C1=O
ZINC000001818878
ZINC1818878
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