Vitas-M small molecule compound
2-phenoxyethyl 4-(2-chlorophenyl)-2-methyl-5-oxo-7-phenyl-1,4,5,6,7,8-hexahydroquinoline-3-carboxylate
Catalog ID
STK076069
SMILES O=C(C1=C(C)NC2=C(C1c1ccccc1Cl)C(=O)CC(C2)c1ccccc1)OCCOc1ccccc1
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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 C31H28ClNO4 MW 514.02 g/mol Purity >90% as per NMR
InChI
InChI=1S/C31H28ClNO4/c1-20-28(31(35)37-17-16-36-23-12-6-3-7-13-23)29(24-14-8-9-15-25(24)32)30-26(33-20)18-22(19-27(30)34)21-10-4-2-5-11-21/h2-15,22,29,33H,16-19H2,1H3InChIKey
WTGKVODIAWBCMT-UHFFFAOYSA-NSynonyms
2phenoxyethyl4(2chlorophenyl)2methyl5oxo7phenyl145678hexahydroquinoline3carboxylate
2phenoxyethyl4(2chlorophenyl)2methyl5oxo7phenyl4678tetrahydro1Hquinoline3carboxylate
CC1=C(C(C2=C(N1)CC(CC2=O)C3=CC=CC=C3)C4=CC=CC=C4Cl)C(=O)OCCOC5=CC=CC=C5
InChI=1SC31H28ClNO4c12028(31(35)3717163623126371323)29(2414891525(24)32)3026(3320)1822(1927(30)34)21104251121h215222933H1619H21H3
MFCD01590157
O=C(C1=C(C)NC2=C(C1c1ccccc1Cl)C(=O)CC(C2)c1ccccc1)OCCOc1ccccc1
STK076069
ZINC000002779919
ZINC000002779922
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