Vitas-M small molecule compound
4-[(5Z)-5-(1-{2-[(4-methoxyphenyl)amino]-2-oxoethyl}-2-oxo-1,2-dihydro-3H-indol-3-ylidene)-4-oxo-2-thioxo-1,3-thiazolidin-3-yl]butanoic acid
Catalog ID
STK813321
SMILES COc1ccc(cc1)NC(=O)CN1c2ccccc2/C(=C\2/SC(=S)N(C2=O)CCCC(=O)O)/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 C24H21N3O6S2 MW 511.58 g/mol Purity >90% as per NMR
InChI
InChI=1S/C24H21N3O6S2/c1-33-15-10-8-14(9-11-15)25-18(28)13-27-17-6-3-2-5-16(17)20(22(27)31)21-23(32)26(24(34)35-21)12-4-7-19(29)30/h2-3,5-6,8-11H,4,7,12-13H2,1H3,(H,25,28)(H,29,30)/b21-20-InChIKey
HMKPMQFLABGQFI-MRCUWXFGSA-NSynonyms
4((5Z)5(1(2((4methoxyphenyl)amino)2oxoethyl)2oxo12dihydro3Hindol3ylidene)4oxo2thioxo13thiazolidin3yl)butanoicacid
4((5Z)5(1(2(4METHOXYANILINO)2OXOETHYL)2OXOINDOL3YLIDENE)4OXO2SULFANYLIDENE13THIAZOLIDIN3YL)BUTANOICACID
4(5(1(2((4METHOXYPHENYL)AMINO)2OXOETHYL)2OXOINDOLIN3YLIDENE)4OXO2THIOXOTHIAZOLIDIN3YL)BUTANOICACID
COC1=CC=C(C=C1)NC(=O)CN2C3=CC=CC=C3C(=C4C(=O)N(C(=S)S4)CCCC(=O)O)C2=O
COc1ccc(cc1)NC(=O)CN1c2ccccc2C(=C2SC(=S)N(C2=O)CCCC(=O)O)C1=O
InChI=1SC24H21N3O6S2c1331510814(91115)2518(28)132717632516(17)20(22(27)31)2123(32)26(24(34)3521)124719(29)30h2356811H471213H21H3(H2528)(H2930)b2120
MFCD04441492
ZINC000016805365
ZINC16805365
Check stock
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Check stock on Vitas-MAvailable files
Download the SDF, MOL, 3D structure and SDS documents from Vitas-M.