Vitas-M small molecule compound
2-{(5Z)-5-[(6-methoxy-1H-indol-3-yl)methylidene]-4-oxo-2-thioxo-1,3-thiazolidin-3-yl}pentanedioic acid
Catalog ID
STK995638
SMILES COc1ccc2c(c1)[nH]cc2/C=C/1\SC(=S)N(C1=O)C(C(=O)O)CCC(=O)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 C18H16N2O6S2 MW 420.47 g/mol Purity >90% as per NMR
InChI
InChI=1S/C18H16N2O6S2/c1-26-10-2-3-11-9(8-19-12(11)7-10)6-14-16(23)20(18(27)28-14)13(17(24)25)4-5-15(21)22/h2-3,6-8,13,19H,4-5H2,1H3,(H,21,22)(H,24,25)/b14-6-InChIKey
FRPXQEFBXYYSHJ-NSIKDUERSA-NSynonyms
(E)2(5((6methoxy1Hindol3yl)methylene)4oxo2thioxothiazolidin3yl)pentanedioicacid
2((5Z)5((6methoxy1Hindol3yl)methylidene)4oxo2sulfanylidene13thiazolidin3yl)pentanedioicacid
2((5Z)5((6methoxy1Hindol3yl)methylidene)4oxo2thioxo13thiazolidin3yl)pentanedioicacid
2(5((6METHOXYINDOL3YL)METHYLENE)4OXO2THIOXO13THIAZOLIDIN3YL)PENTANEDIOICACID
COC1=CC2=C(C=C1)C(=CN2)C=C3C(=O)N(C(=S)S3)C(CCC(=O)O)C(=O)O
COc1ccc2c(c1)(nH)cc2C=C1SC(=S)N(C1=O)C(C(=O)O)CCC(=O)O
InChI=1SC18H16N2O6S2c1261023119(81912(11)710)61416(23)20(18(27)2814)13(17(24)25)4515(21)22h23681319H45H21H3(H2122)(H2425)b146
MFCD18185320
ZINC000051330864
ZINC000051330866
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