Vitas-M small molecule compound
cyclopentyl 4-(5-bromo-2-fluorophenyl)-2-methyl-5-oxo-7-(thiophen-2-yl)-1,4,5,6,7,8-hexahydroquinoline-3-carboxylate
Catalog ID
STK402870
SMILES Brc1ccc(c(c1)C1C(=C(C)NC2=C1C(=O)CC(C2)c1cccs1)C(=O)OC1CCCC1)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 C26H25BrFNO3S MW 530.46 g/mol Purity >90% as per NMR
InChI
InChI=1S/C26H25BrFNO3S/c1-14-23(26(31)32-17-5-2-3-6-17)24(18-13-16(27)8-9-19(18)28)25-20(29-14)11-15(12-21(25)30)22-7-4-10-33-22/h4,7-10,13,15,17,24,29H,2-3,5-6,11-12H2,1H3InChIKey
RMKBYVMPLCHDTJ-UHFFFAOYSA-NSynonyms
CC1=C(C(C2=C(N1)CC(CC2=O)C3=CC=CS3)C4=C(C=CC(=C4)Br)F)C(=O)OC5CCCC5
cyclopentyl4(5bromo2fluorophenyl)2methyl5oxo7(thiophen2yl)145678hexahydroquinoline3carboxylate
cyclopentyl4(5bromo2fluorophenyl)2methyl5oxo7thiophen2yl4678tetrahydro1Hquinoline3carboxylate
InChI=1SC26H25BrFNO3Sc11423(26(31)3217523617)24(181316(27)8919(18)28)2520(2914)1115(1221(25)30)2274103322h47101315172429H23561112H21H3
MFCD03231135
ZINC000000717683
ZINC000097939713
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