Vitas-M small molecule compound
4-[(5E)-5-{[2-(ethoxycarbonyl)-5-methoxy-1H-indol-3-yl]methylidene}-4-oxo-2-thioxo-1,3-thiazolidin-3-yl]butanoic acid
Catalog ID
STK618945
SMILES CCOC(=O)c1[nH]c2c(c1/C=C\1/SC(=S)N(C1=O)CCCC(=O)O)cc(cc2)OC
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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 C20H20N2O6S2 MW 448.52 g/mol Purity >90% as per NMR
InChI
InChI=1S/C20H20N2O6S2/c1-3-28-19(26)17-13(12-9-11(27-2)6-7-14(12)21-17)10-15-18(25)22(20(29)30-15)8-4-5-16(23)24/h6-7,9-10,21H,3-5,8H2,1-2H3,(H,23,24)/b15-10+InChIKey
BJBADCDOZARGQF-XNTDXEJSSA-NSynonyms
(E)4(5((2(ethoxycarbonyl)5methoxy1Hindol3yl)methylene)4oxo2thioxothiazolidin3yl)butanoicacid
4((5E)5((2(ethoxycarbonyl)5methoxy1Hindol3yl)methylidene)4oxo2thioxo13thiazolidin3yl)butanoicacid
4((5E)5((2ethoxycarbonyl5methoxy1Hindol3yl)methylidene)4oxo2sulfanylidene13thiazolidin3yl)butanoicacid
CCOC(=O)c1(nH)c2c(c1C=C1SC(=S)N(C1=O)CCCC(=O)O)cc(cc2)OC
CCOC(=O)C1=C(C2=C(N1)C=CC(=C2)OC)C=C3C(=O)N(C(=S)S3)CCCC(=O)O
InChI=1SC20H20N2O6S2c132819(26)1713(12911(272)6714(12)2117)101518(25)22(20(29)3015)84516(23)24h6791021H358H212H3(H2324)b1510+
MFCD09856272
ZINC000013725696
ZINC13725696
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