Vitas-M small molecule compound
cyclopentyl 7-(4-chlorophenyl)-4-(3-hydroxyphenyl)-2-methyl-5-oxo-1,4,5,6,7,8-hexahydroquinoline-3-carboxylate
Catalog ID
STK010652
SMILES Oc1cccc(c1)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 C28H28ClNO4 MW 477.99 g/mol Purity >90% as per NMR
InChI
InChI=1S/C28H28ClNO4/c1-16-25(28(33)34-22-7-2-3-8-22)26(18-5-4-6-21(31)13-18)27-23(30-16)14-19(15-24(27)32)17-9-11-20(29)12-10-17/h4-6,9-13,19,22,26,30-31H,2-3,7-8,14-15H2,1H3InChIKey
BTOCGHPSDSNZPH-UHFFFAOYSA-NSynonyms
CC1=C(C(C2=C(N1)CC(CC2=O)C3=CC=C(C=C3)Cl)C4=CC(=CC=C4)O)C(=O)OC5CCCC5
cyclopentyl7(4chlorophenyl)4(3hydroxyphenyl)2methyl5oxo145678hexahydroquinoline3carboxylate
cyclopentyl7(4chlorophenyl)4(3hydroxyphenyl)2methyl5oxo4678tetrahydro1Hquinoline3carboxylate
InChI=1SC28H28ClNO4c11625(28(33)3422723822)26(1854621(31)1318)2723(3016)1419(1524(27)32)1791120(29)121017h469131922263031H23781415H21H3
MFCD01824316
Oc1cccc(c1)C1C2=C(CC(CC2=O)c2ccc(cc2)Cl)NC(=C1C(=O)OC1CCCC1)C
STK010652
ZINC000000861375
ZINC000100551974
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