Vitas-M small molecule compound
7-(3-bromo-4-methoxyphenyl)-3-(4-fluorophenyl)-5-oxo-4,5,6,7-tetrahydrothieno[3,2-b]pyridine-2-carboxylic acid
Catalog ID
STK692121
SMILES COc1ccc(cc1Br)C1CC(=O)Nc2c1sc(c2c1ccc(cc1)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 C21H15BrFNO4S MW 476.32 g/mol Purity >90% as per NMR
InChI
InChI=1S/C21H15BrFNO4S/c1-28-15-7-4-11(8-14(15)22)13-9-16(25)24-18-17(10-2-5-12(23)6-3-10)20(21(26)27)29-19(13)18/h2-8,13H,9H2,1H3,(H,24,25)(H,26,27)InChIKey
MOSMDFVQKMMOTH-UHFFFAOYSA-NSynonyms
7(3bromo4methoxyphenyl)3(4fluorophenyl)5oxo4567tetrahydrothieno(32b)pyridine2carboxylicacid
7(3bromo4methoxyphenyl)3(4fluorophenyl)5oxo67dihydro4Hthieno(32b)pyridine2carboxylicacid
COC1=C(C=C(C=C1)C2CC(=O)NC3=C2SC(=C3C4=CC=C(C=C4)F)C(=O)O)Br
InChI=1SC21H15BrFNO4Sc128157411(814(15)22)13916(25)241817(102512(23)6310)20(21(26)27)2919(13)18h2813H9H21H3(H2425)(H2627)
MFCD10038067
ZINC000015082334
ZINC000015082336
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