Vitas-M small molecule compound
2-phenylethyl 7-(4-chlorophenyl)-4-(4-hydroxy-3-methoxyphenyl)-2-methyl-5-oxo-1,4,5,6,7,8-hexahydroquinoline-3-carboxylate
Catalog ID
STK007450
SMILES COc1cc(ccc1O)C1C(=C(C)NC2=C1C(=O)CC(C2)c1ccc(cc1)Cl)C(=O)OCCc1ccccc1
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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/c1-19-29(32(37)39-15-14-20-6-4-3-5-7-20)30(22-10-13-26(35)28(18-22)38-2)31-25(34-19)16-23(17-27(31)36)21-8-11-24(33)12-9-21/h3-13,18,23,30,34-35H,14-17H2,1-2H3InChIKey
LIHYXEHTTMJYSB-UHFFFAOYSA-NSynonyms
2phenylethyl7(4chlorophenyl)4(4hydroxy3methoxyphenyl)2methyl5oxo145678hexahydroquinoline3carboxylate
2phenylethyl7(4chlorophenyl)4(4hydroxy3methoxyphenyl)2methyl5oxo4678tetrahydro1Hquinoline3carboxylate
CC1=C(C(C2=C(N1)CC(CC2=O)C3=CC=C(C=C3)Cl)C4=CC(=C(C=C4)O)OC)C(=O)OCCC5=CC=CC=C5
COc1cc(ccc1O)C1C(=C(C)NC2=C1C(=O)CC(C2)c1ccc(cc1)Cl)C(=O)OCCc1ccccc1
InChI=1SC32H30ClNO5c11929(32(37)391514206435720)30(22101326(35)28(1822)382)3125(3419)1623(1727(31)36)2181124(33)12921h3131823303435H1417H212H3
MFCD01825132
STK007450
ZINC000001202526
ZINC000001202538
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