Vitas-M small molecule compound
methyl 5-fluoro-3-{(E)-[3-(4-hydroxyphenyl)-4-oxo-2-thioxo-1,3-thiazolidin-5-ylidene]methyl}-1H-indole-2-carboxylate
Catalog ID
STK625642
SMILES COC(=O)c1[nH]c2c(c1/C=C\1/SC(=S)N(C1=O)c1ccc(cc1)O)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 C20H13FN2O4S2 MW 428.46 g/mol Purity >90% as per NMR
InChI
InChI=1S/C20H13FN2O4S2/c1-27-19(26)17-14(13-8-10(21)2-7-15(13)22-17)9-16-18(25)23(20(28)29-16)11-3-5-12(24)6-4-11/h2-9,22,24H,1H3/b16-9+InChIKey
USVDPVHBQGESLF-CXUHLZMHSA-NSynonyms
(E)methyl5fluoro3((3(4hydroxyphenyl)4oxo2thioxothiazolidin5ylidene)methyl)1Hindole2carboxylate
COC(=O)c1(nH)c2c(c1C=C1SC(=S)N(C1=O)c1ccc(cc1)O)cc(cc2)F
COC(=O)C1=C(C2=C(N1)C=CC(=C2)F)C=C3C(=O)N(C(=S)S3)C4=CC=C(C=C4)O
InChI=1SC20H13FN2O4S2c12719(26)1714(13810(21)2715(13)2217)91618(25)23(20(28)2916)113512(24)6411h292224H1H3b169+
methyl5fluoro3((E)(3(4hydroxyphenyl)4oxo2sulfanylidene13thiazolidin5ylidene)methyl)1Hindole2carboxylate
methyl5fluoro3((E)(3(4hydroxyphenyl)4oxo2thioxo13thiazolidin5ylidene)methyl)1Hindole2carboxylate
MFCD09857004
ZINC000013728623
ZINC13728623
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