Vitas-M small molecule compound
2-phenoxyethyl 7-(4-chlorophenyl)-4-(4-hydroxy-3-methoxyphenyl)-2-methyl-5-oxo-1,4,5,6,7,8-hexahydroquinoline-3-carboxylate
Catalog ID
STK070795
SMILES COc1cc(ccc1O)C1C(=C(C)NC2=C1C(=O)CC(C2)c1ccc(cc1)Cl)C(=O)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 C32H30ClNO6 MW 560.05 g/mol Purity >90% as per NMR
InChI
InChI=1S/C32H30ClNO6/c1-19-29(32(37)40-15-14-39-24-6-4-3-5-7-24)30(21-10-13-26(35)28(18-21)38-2)31-25(34-19)16-22(17-27(31)36)20-8-11-23(33)12-9-20/h3-13,18,22,30,34-35H,14-17H2,1-2H3InChIKey
MGZSQHBGHWAAHA-UHFFFAOYSA-NSynonyms
2phenoxyethyl7(4chlorophenyl)4(4hydroxy3methoxyphenyl)2methyl5oxo145678hexahydroquinoline3carboxylate
2phenoxyethyl7(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)OCCOC5=CC=CC=C5
COc1cc(ccc1O)C1C(=C(C)NC2=C1C(=O)CC(C2)c1ccc(cc1)Cl)C(=O)OCCOc1ccccc1
InChI=1SC32H30ClNO6c11929(32(37)40151439246435724)30(21101326(35)28(1821)382)3125(3419)1622(1727(31)36)2081123(33)12920h3131822303435H1417H212H3
MFCD01824302
STK070795
ZINC000100559337
ZINC000100559347
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