Vitas-M small molecule compound
2-({3-[(5Z)-5-(4-methylbenzylidene)-4-oxo-2-thioxo-1,3-thiazolidin-3-yl]propanoyl}amino)benzoic acid
Catalog ID
STK533885
SMILES O=C(Nc1ccccc1C(=O)O)CCN1C(=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 C21H18N2O4S2 MW 426.52 g/mol Purity >90% as per NMR
InChI
InChI=1S/C21H18N2O4S2/c1-13-6-8-14(9-7-13)12-17-19(25)23(21(28)29-17)11-10-18(24)22-16-5-3-2-4-15(16)20(26)27/h2-9,12H,10-11H2,1H3,(H,22,24)(H,26,27)/b17-12-InChIKey
AZYMMOXNZWJTJX-ATVHPVEESA-NSynonyms
(Z)2(3(5(4methylbenzylidene)4oxo2thioxothiazolidin3yl)propanamido)benzoicacid
2((3((5Z)5(4methylbenzylidene)4oxo2thioxo13thiazolidin3yl)propanoyl)amino)benzoicacid
2(3((5Z)5((4METHYLPHENYL)METHYLIDENE)4OXO2SULFANYLIDENE13THIAZOLIDIN3YL)PROPANOYLAMINO)BENZOICACID
CC1=CC=C(C=C1)C=C2C(=O)N(C(=S)S2)CCC(=O)NC3=CC=CC=C3C(=O)O
InChI=1SC21H18N2O4S2c1136814(9713)121719(25)23(21(28)2917)111018(24)2216532415(16)20(26)27h2912H1011H21H3(H2224)(H2627)b1712
MFCD02369762
O=C(Nc1ccccc1C(=O)O)CCN1C(=S)SC(=Cc2ccc(cc2)C)C1=O
ZINC000013798683
ZINC13798683
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