Vitas-M small molecule compound
cyclopentyl 4,7-bis(4-chlorophenyl)-2-methyl-5-oxo-1,4,5,6,7,8-hexahydroquinoline-3-carboxylate
Catalog ID
STK000570
SMILES Clc1ccc(cc1)C1C2=C(CC(CC2=O)c2ccc(cc2)Cl)NC(=C1C(=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 C28H27Cl2NO3 MW 496.43 g/mol Purity >90% as per NMR
InChI
InChI=1S/C28H27Cl2NO3/c1-16-25(28(33)34-22-4-2-3-5-22)26(18-8-12-21(30)13-9-18)27-23(31-16)14-19(15-24(27)32)17-6-10-20(29)11-7-17/h6-13,19,22,26,31H,2-5,14-15H2,1H3InChIKey
LDJJEZPXSWMYLV-UHFFFAOYSA-NSynonyms
CC1=C(C(C2=C(N1)CC(CC2=O)C3=CC=C(C=C3)Cl)C4=CC=C(C=C4)Cl)C(=O)OC5CCCC5
Clc1ccc(cc1)C1C2=C(CC(CC2=O)c2ccc(cc2)Cl)NC(=C1C(=O)OC1CCCC1)C
cyclopentyl47bis(4chlorophenyl)2methyl5oxo145678hexahydroquinoline3carboxylate
cyclopentyl47bis(4chlorophenyl)2methyl5oxo4678tetrahydro1Hquinoline3carboxylate
InChI=1SC28H27Cl2NO3c11625(28(33)3422423522)26(1881221(30)13918)2723(3116)1419(1524(27)32)1761020(29)11717h61319222631H251415H21H3
MFCD01655994
STK000570
ZINC000002185712
ZINC000002185715
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