Vitas-M small molecule compound
2-[(5E)-5-{[2-(methoxycarbonyl)-1H-indol-3-yl]methylidene}-4-oxo-2-thioxo-1,3-thiazolidin-3-yl]-3-methylbutanoic acid
Catalog ID
STK623170
SMILES COC(=O)c1[nH]c2c(c1/C=C\1/SC(=S)N(C1=O)C(C(=O)O)C(C)C)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 C19H18N2O5S2 MW 418.49 g/mol Purity >90% as per NMR
InChI
InChI=1S/C19H18N2O5S2/c1-9(2)15(17(23)24)21-16(22)13(28-19(21)27)8-11-10-6-4-5-7-12(10)20-14(11)18(25)26-3/h4-9,15,20H,1-3H3,(H,23,24)/b13-8+InChIKey
XOKDJJLUVGFNIQ-MDWZMJQESA-NSynonyms
(E)2(5((2(methoxycarbonyl)1Hindol3yl)methylene)4oxo2thioxothiazolidin3yl)3methylbutanoicacid
2((5E)5((2(methoxycarbonyl)1Hindol3yl)methylidene)4oxo2thioxo13thiazolidin3yl)3methylbutanoicacid
2((5E)5((2methoxycarbonyl1Hindol3yl)methylidene)4oxo2sulfanylidene13thiazolidin3yl)3methylbutanoicacid
CC(C)C(C(=O)O)N1C(=O)C(=CC2=C(NC3=CC=CC=C32)C(=O)OC)SC1=S
COC(=O)c1(nH)c2c(c1C=C1SC(=S)N(C1=O)C(C(=O)O)C(C)C)cccc2
InChI=1SC19H18N2O5S2c19(2)15(17(23)24)2116(22)13(2819(21)27)81110645712(10)2014(11)18(25)263h491520H13H3(H2324)b138+
MFCD09857623
ZINC000013730944
ZINC000013730947
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