Vitas-M small molecule compound
2-[(5E)-5-(2H-chromen-3-ylmethylidene)-4-oxo-2-thioxo-1,3-thiazolidin-3-yl]-4-(methylsulfanyl)butanoic acid
Catalog ID
STK624943
SMILES CSCCC(N1C(=S)S/C(=C/C2=Cc3c(OC2)cccc3)/C1=O)C(=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 C18H17NO4S3 MW 407.54 g/mol Purity >90% as per NMR
InChI
InChI=1S/C18H17NO4S3/c1-25-7-6-13(17(21)22)19-16(20)15(26-18(19)24)9-11-8-12-4-2-3-5-14(12)23-10-11/h2-5,8-9,13H,6-7,10H2,1H3,(H,21,22)/b15-9+InChIKey
PKAOWGZIAVZOMF-OQLLNIDSSA-NSynonyms
(E)2(5((2Hchromen3yl)methylene)4oxo2thioxothiazolidin3yl)4(methylthio)butanoicacid
2((5E)5(2Hchromen3ylmethylidene)4oxo2sulfanylidene13thiazolidin3yl)4methylsulfanylbutanoicacid
2((5E)5(2Hchromen3ylmethylidene)4oxo2thioxo13thiazolidin3yl)4(methylsulfanyl)butanoicacid
CSCCC(C(=O)O)N1C(=O)C(=CC2=CC3=CC=CC=C3OC2)SC1=S
CSCCC(N1C(=S)SC(=CC2=Cc3c(OC2)cccc3)C1=O)C(=O)O
InChI=1SC18H17NO4S3c1257613(17(21)22)1916(20)15(2618(19)24)911812423514(12)231011h258913H6710H21H3(H2122)b159+
MFCD09797522
ZINC000008990830
ZINC000008990831
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