Vitas-M small molecule compound
2-[(5E)-5-{[5-fluoro-2-(methoxycarbonyl)-1H-indol-3-yl]methylidene}-4-oxo-2-thioxo-1,3-thiazolidin-3-yl]-3-methylbutanoic acid
Catalog ID
STK628384
SMILES COC(=O)c1[nH]c2c(c1/C=C\1/SC(=S)N(C1=O)C(C(=O)O)C(C)C)cc(cc2)F
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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 C19H17FN2O5S2 MW 436.48 g/mol Purity >90% as per NMR
InChI
InChI=1S/C19H17FN2O5S2/c1-8(2)15(17(24)25)22-16(23)13(29-19(22)28)7-11-10-6-9(20)4-5-12(10)21-14(11)18(26)27-3/h4-8,15,21H,1-3H3,(H,24,25)/b13-7+InChIKey
RKKCCQOYZLVTNZ-NTUHNPAUSA-NSynonyms
(E)2(5((5fluoro2(methoxycarbonyl)1Hindol3yl)methylene)4oxo2thioxothiazolidin3yl)3methylbutanoicacid
2((5E)5((5fluoro2(methoxycarbonyl)1Hindol3yl)methylidene)4oxo2thioxo13thiazolidin3yl)3methylbutanoicacid
2((5E)5((5fluoro2methoxycarbonyl1Hindol3yl)methylidene)4oxo2sulfanylidene13thiazolidin3yl)3methylbutanoicacid
CC(C)C(C(=O)O)N1C(=O)C(=CC2=C(NC3=C2C=C(C=C3)F)C(=O)OC)SC1=S
COC(=O)c1(nH)c2c(c1C=C1SC(=S)N(C1=O)C(C(=O)O)C(C)C)cc(cc2)F
InChI=1SC19H17FN2O5S2c18(2)15(17(24)25)2216(23)13(2919(22)28)7111069(20)4512(10)2114(11)18(26)273h481521H13H3(H2425)b137+
MFCD09853868
ZINC000013693022
ZINC000013693023
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