Vitas-M small molecule compound
cyclopentyl 4-(1,3-benzodioxol-5-yl)-7-(4-fluorophenyl)-2-methyl-5-oxo-1,4,5,6,7,8-hexahydroquinoline-3-carboxylate
Catalog ID
STK406496
SMILES Fc1ccc(cc1)C1CC(=O)C2=C(C1)NC(=C(C2c1ccc2c(c1)OCO2)C(=O)OC1CCCC1)C
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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 C29H28FNO5 MW 489.54 g/mol Purity >90% as per NMR
InChI
InChI=1S/C29H28FNO5/c1-16-26(29(33)36-21-4-2-3-5-21)27(18-8-11-24-25(14-18)35-15-34-24)28-22(31-16)12-19(13-23(28)32)17-6-9-20(30)10-7-17/h6-11,14,19,21,27,31H,2-5,12-13,15H2,1H3InChIKey
WPYQLUMOVUSOSN-UHFFFAOYSA-NSynonyms
CC1=C(C(C2=C(N1)CC(CC2=O)C3=CC=C(C=C3)F)C4=CC5=C(C=C4)OCO5)C(=O)OC6CCCC6
cyclopentyl4(13benzodioxol5yl)7(4fluorophenyl)2methyl5oxo145678hexahydroquinoline3carboxylate
cyclopentyl4(13benzodioxol5yl)7(4fluorophenyl)2methyl5oxo4678tetrahydro1Hquinoline3carboxylate
InChI=1SC29H28FNO5c11626(29(33)3621423521)27(188112425(1418)35153424)2822(3116)1219(1323(28)32)176920(30)10717h6111419212731H25121315H21H3
MFCD05986913
ZINC000001130124
ZINC000001130140
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