Vitas-M small molecule compound
4-[(5E)-5-{[2-(methoxycarbonyl)-1H-indol-3-yl]methylidene}-4-oxo-2-thioxo-1,3-thiazolidin-3-yl]butanoic acid
Catalog ID
STK624124
SMILES COC(=O)c1[nH]c2c(c1/C=C\1/SC(=S)N(C1=O)CCCC(=O)O)cccc2
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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 C18H16N2O5S2 MW 404.47 g/mol Purity >90% as per NMR
InChI
InChI=1S/C18H16N2O5S2/c1-25-17(24)15-11(10-5-2-3-6-12(10)19-15)9-13-16(23)20(18(26)27-13)8-4-7-14(21)22/h2-3,5-6,9,19H,4,7-8H2,1H3,(H,21,22)/b13-9+InChIKey
SMXYADCQQUOUOD-UKTHLTGXSA-NSynonyms
(E)4(5((2(methoxycarbonyl)1Hindol3yl)methylene)4oxo2thioxothiazolidin3yl)butanoicacid
4((5E)5((2(methoxycarbonyl)1Hindol3yl)methylidene)4oxo2thioxo13thiazolidin3yl)butanoicacid
4((5E)5((2methoxycarbonyl1Hindol3yl)methylidene)4oxo2sulfanylidene13thiazolidin3yl)butanoicacid
COC(=O)c1(nH)c2c(c1C=C1SC(=S)N(C1=O)CCCC(=O)O)cccc2
COC(=O)C1=C(C2=CC=CC=C2N1)C=C3C(=O)N(C(=S)S3)CCCC(=O)O
InChI=1SC18H16N2O5S2c12517(24)1511(10523612(10)1915)91316(23)20(18(26)2713)84714(21)22h2356919H478H21H3(H2122)b139+
MFCD09853035
ZINC000013691972
ZINC13691972
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