Vitas-M small molecule compound
2-phenoxyethyl 7-(4-chlorophenyl)-4-(3-hydroxyphenyl)-2-methyl-5-oxo-1,4,5,6,7,8-hexahydroquinoline-3-carboxylate
Catalog ID
STK049503
SMILES Oc1cccc(c1)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)38-15-14-37-25-8-3-2-4-9-25)29(21-6-5-7-24(34)16-21)30-26(33-19)17-22(18-27(30)35)20-10-12-23(32)13-11-20/h2-13,16,22,29,33-34H,14-15,17-18H2,1H3InChIKey
PPDVPSDWFKHACX-UHFFFAOYSA-NSynonyms
312586-10-02phenoxyethyl7(4chlorophenyl)4(3hydroxyphenyl)2methyl5oxo145678hexahydroquinoline3carboxylate
2phenoxyethyl7(4chlorophenyl)4(3hydroxyphenyl)2methyl5oxo4678tetrahydro1Hquinoline3carboxylate
312586100
CC1=C(C(C2=C(N1)CC(CC2=O)C3=CC=C(C=C3)Cl)C4=CC(=CC=C4)O)C(=O)OCCOC5=CC=CC=C5
InChI=1SC31H28ClNO5c11928(31(36)38151437258324925)29(2165724(34)1621)3026(3319)1722(1827(30)35)20101223(32)131120h2131622293334H14151718H21H3
MFCD01823615
Oc1cccc(c1)C1C(=C(C)NC2=C1C(=O)CC(C2)c1ccc(cc1)Cl)C(=O)OCCOc1ccccc1
STK049503
ZINC000002757861
ZINC000100557268
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