Vitas-M small molecule compound
6-[(5E)-5-{[2-(methoxycarbonyl)-1H-indol-3-yl]methylidene}-4-oxo-2-thioxo-1,3-thiazolidin-3-yl]hexanoic acid
Catalog ID
STK623976
SMILES COC(=O)c1[nH]c2c(c1/C=C\1/SC(=S)N(C1=O)CCCCCC(=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 C20H20N2O5S2 MW 432.52 g/mol Purity >90% as per NMR
InChI
InChI=1S/C20H20N2O5S2/c1-27-19(26)17-13(12-7-4-5-8-14(12)21-17)11-15-18(25)22(20(28)29-15)10-6-2-3-9-16(23)24/h4-5,7-8,11,21H,2-3,6,9-10H2,1H3,(H,23,24)/b15-11+InChIKey
CBWLVBBBDRALLC-RVDMUPIBSA-NSynonyms
(E)6(5((2(methoxycarbonyl)1Hindol3yl)methylene)4oxo2thioxothiazolidin3yl)hexanoicacid
6((5E)5((2(methoxycarbonyl)1Hindol3yl)methylidene)4oxo2thioxo13thiazolidin3yl)hexanoicacid
6((5E)5((2methoxycarbonyl1Hindol3yl)methylidene)4oxo2sulfanylidene13thiazolidin3yl)hexanoicacid
COC(=O)c1(nH)c2c(c1C=C1SC(=S)N(C1=O)CCCCCC(=O)O)cccc2
COC(=O)C1=C(C2=CC=CC=C2N1)C=C3C(=O)N(C(=S)S3)CCCCCC(=O)O
InChI=1SC20H20N2O5S2c12719(26)1713(12745814(12)2117)111518(25)22(20(28)2915)10623916(23)24h45781121H236910H21H3(H2324)b1511+
MFCD09857818
ZINC000013731721
ZINC13731721
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