Vitas-M small molecule compound
2-hydroxy-4-[(3-{(5Z)-5-[(2E)-2-methyl-3-phenylprop-2-en-1-ylidene]-4-oxo-2-thioxo-1,3-thiazolidin-3-yl}propanoyl)amino]benzoic acid
Catalog ID
STK994635
SMILES O=C(Nc1ccc(c(c1)O)C(=O)O)CCN1C(=S)S/C(=C\C(=C\c2ccccc2)\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 C23H20N2O5S2 MW 468.55 g/mol Purity >90% as per NMR
InChI
InChI=1S/C23H20N2O5S2/c1-14(11-15-5-3-2-4-6-15)12-19-21(28)25(23(31)32-19)10-9-20(27)24-16-7-8-17(22(29)30)18(26)13-16/h2-8,11-13,26H,9-10H2,1H3,(H,24,27)(H,29,30)/b14-11+,19-12-InChIKey
RJWWCSPLGJHESL-JKLBGJETSA-NSynonyms
469876-22-02hydroxy4((3((5Z)5((2E)2methyl3phenylprop2en1ylidene)4oxo2thioxo13thiazolidin3yl)propanoyl)amino)benzoicacid
2HYDROXY4(3((5Z)5((E)2METHYL3PHENYLPROP2ENYLIDENE)4OXO2SULFANYLIDENE13THIAZOLIDIN3YL)PROPANOYLAMINO)BENZOICACID
4(3(5((2E)2METHYL3PHENYLPROP2ENYLIDENE)4OXO2THIOXO(13THIAZOLIDIN3YL))PROPANOYLAMINO)2HYDROXYBENZOICACID
469876220
CC(=CC1=CC=CC=C1)C=C2C(=O)N(C(=S)S2)CCC(=O)NC3=CC(=C(C=C3)C(=O)O)O
InChI=1SC23H20N2O5S2c114(11155324615)121921(28)25(23(31)3219)10920(27)24167817(22(29)30)18(26)1316h28111326H910H21H3(H2427)(H2930)b1411+1912
MFCD02365193
O=C(Nc1ccc(c(c1)O)C(=O)O)CCN1C(=S)SC(=CC(=Cc2ccccc2)C)C1=O
ZINC000009444155
ZINC9444155
Check stock
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Check stock on Vitas-MAvailable files
Download the SDF, MOL, 3D structure and SDS documents from Vitas-M.