Vitas-M small molecule compound
5-bromo-3'-(2-fluorophenyl)-5'-hydroxy-2-oxo-1,2-dihydro-6'H-spiro[indole-3,7'-thieno[3,2-b]pyridine]-2'-carboxylic acid
Catalog ID
STK653820
SMILES OC1=Nc2c(c(sc2C2(C1)C(=O)Nc1c2cc(Br)cc1)C(=O)O)c1ccccc1F
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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 C21H12BrFN2O4S MW 487.31 g/mol Purity >90% as per NMR
InChI
InChI=1S/C21H12BrFN2O4S/c22-9-5-6-13-11(7-9)21(20(29)24-13)8-14(26)25-16-15(10-3-1-2-4-12(10)23)17(19(27)28)30-18(16)21/h1-7H,8H2,(H,24,29)(H,25,26)(H,27,28)InChIKey
BPKQEERDPBWMMI-UHFFFAOYSA-NSynonyms
1190275-20-71190275207
5bromo3(2fluorophenyl)25dioxospiro(1Hindole3746dihydrothieno(32b)pyridine)2carboxylicacid
5bromo3(2fluorophenyl)5hydroxy2oxo12dihydro6Hspiro(indole37thieno(32b)pyridine)2carboxylicacid
C1C(=O)NC2=C(C13C4=C(C=CC(=C4)Br)NC3=O)SC(=C2C5=CC=CC=C5F)C(=O)O
InChI=1SC21H12BrFN2O4Sc229561311(79)21(20(29)2413)814(26)251615(10312412(10)23)17(19(27)28)3018(16)21h17H8H2(H2429)(H2526)(H2728)
MFCD18166828
ZINC000036359144
ZINC000036359145
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