Vitas-M small molecule compound
3-(4-methoxyphenyl)-5-oxo-7-(trifluoromethyl)-4,5,6,7-tetrahydrothieno[3,2-b]pyridine-2-carboxylic acid
Catalog ID
STL435906
SMILES COc1ccc(cc1)c1c(sc2c1NC(=O)CC2C(F)(F)F)C(=O)O
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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 C16H12F3NO4S MW 371.34 g/mol Purity >90% as per NMR
InChI
InChI=1S/C16H12F3NO4S/c1-24-8-4-2-7(3-5-8)11-12-13(25-14(11)15(22)23)9(16(17,18)19)6-10(21)20-12/h2-5,9H,6H2,1H3,(H,20,21)(H,22,23)InChIKey
IJMIGCXBPYLRNM-UHFFFAOYSA-NSynonyms
3(4methoxyphenyl)5oxo7(trifluoromethyl)4567tetrahydrothieno(32b)pyridine2carboxylicacid
3(4methoxyphenyl)5oxo7(trifluoromethyl)67dihydro4Hthieno(32b)pyridine2carboxylicacid
COC1=CC=C(C=C1)C2=C(SC3=C2NC(=O)CC3C(F)(F)F)C(=O)O
InChI=1SC16H12F3NO4Sc1248427(358)111213(2514(11)15(22)23)9(16(1718)19)610(21)2012h259H6H21H3(H2021)(H2223)
MFCD25975808
ZINC000066089639
ZINC000066089640
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