Vitas-M small molecule compound
2-phenoxyethyl 7-(4-chlorophenyl)-4-(4-hydroxyphenyl)-2-methyl-5-oxo-1,4,5,6,7,8-hexahydroquinoline-3-carboxylate
Catalog ID
STK098091
SMILES Oc1ccc(cc1)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 C31H28ClNO5 MW 530.02 g/mol Purity >90% as per NMR
InChI
InChI=1S/C31H28ClNO5/c1-19-28(31(36)38-16-15-37-25-5-3-2-4-6-25)29(21-9-13-24(34)14-10-21)30-26(33-19)17-22(18-27(30)35)20-7-11-23(32)12-8-20/h2-14,22,29,33-34H,15-18H2,1H3InChIKey
WZXFVRSYNRSROX-UHFFFAOYSA-NSynonyms
2phenoxyethyl7(4chlorophenyl)4(4hydroxyphenyl)2methyl5oxo145678hexahydroquinoline3carboxylate
2phenoxyethyl7(4chlorophenyl)4(4hydroxyphenyl)2methyl5oxo4678tetrahydro1Hquinoline3carboxylate
CC1=C(C(C2=C(N1)CC(CC2=O)C3=CC=C(C=C3)Cl)C4=CC=C(C=C4)O)C(=O)OCCOC5=CC=CC=C5
InChI=1SC31H28ClNO5c11928(31(36)38161537255324625)29(2191324(34)141021)3026(3319)1722(1827(30)35)2071123(32)12820h21422293334H1518H21H3
MFCD01825226
Oc1ccc(cc1)C1C(=C(C)NC2=C1C(=O)CC(C2)c1ccc(cc1)Cl)C(=O)OCCOc1ccccc1
STK098091
ZINC000100557429
ZINC000100557437
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