Vitas-M small molecule compound
2-phenoxyethyl 4-(4-chlorophenyl)-7-(4-methoxyphenyl)-2-methyl-5-oxo-1,4,5,6,7,8-hexahydroquinoline-3-carboxylate
Catalog ID
STK084934
SMILES COc1ccc(cc1)C1CC(=O)C2=C(C1)NC(=C(C2c1ccc(cc1)Cl)C(=O)OCCOc1ccccc1)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 C32H30ClNO5 MW 544.05 g/mol Purity >90% as per NMR
InChI
InChI=1S/C32H30ClNO5/c1-20-29(32(36)39-17-16-38-26-6-4-3-5-7-26)30(22-8-12-24(33)13-9-22)31-27(34-20)18-23(19-28(31)35)21-10-14-25(37-2)15-11-21/h3-15,23,30,34H,16-19H2,1-2H3InChIKey
HOZIATCLFCATPS-UHFFFAOYSA-NSynonyms
2phenoxyethyl4(4chlorophenyl)7(4methoxyphenyl)2methyl5oxo145678hexahydroquinoline3carboxylate
2phenoxyethyl4(4chlorophenyl)7(4methoxyphenyl)2methyl5oxo4678tetrahydro1Hquinoline3carboxylate
CC1=C(C(C2=C(N1)CC(CC2=O)C3=CC=C(C=C3)OC)C4=CC=C(C=C4)Cl)C(=O)OCCOC5=CC=CC=C5
COc1ccc(cc1)C1CC(=O)C2=C(C1)NC(=C(C2c1ccc(cc1)Cl)C(=O)OCCOc1ccccc1)C
InChI=1SC32H30ClNO5c12029(32(36)39171638266435726)30(2281224(33)13922)3127(3420)1823(1928(31)35)21101425(372)151121h315233034H1619H212H3
MFCD01823660
STK084934
ZINC000002926479
ZINC000002926488
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