Vitas-M small molecule compound
cyclopentyl 4-[4-(acetyloxy)-3-methoxyphenyl]-7-(4-chlorophenyl)-2-methyl-5-oxo-1,4,5,6,7,8-hexahydroquinoline-3-carboxylate
Catalog ID
STK006328
SMILES COc1cc(ccc1OC(=O)C)C1C(=C(C)NC2=C1C(=O)CC(C2)c1ccc(cc1)Cl)C(=O)OC1CCCC1
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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 C31H32ClNO6 MW 550.05 g/mol Purity >90% as per NMR
InChI
InChI=1S/C31H32ClNO6/c1-17-28(31(36)39-23-6-4-5-7-23)29(20-10-13-26(38-18(2)34)27(16-20)37-3)30-24(33-17)14-21(15-25(30)35)19-8-11-22(32)12-9-19/h8-13,16,21,23,29,33H,4-7,14-15H2,1-3H3InChIKey
OKKSRFULAWPCKJ-UHFFFAOYSA-NSynonyms
CC1=C(C(C2=C(N1)CC(CC2=O)C3=CC=C(C=C3)Cl)C4=CC(=C(C=C4)OC(=O)C)OC)C(=O)OC5CCCC5
COc1cc(ccc1OC(=O)C)C1C(=C(C)NC2=C1C(=O)CC(C2)c1ccc(cc1)Cl)C(=O)OC1CCCC1
cyclopentyl4(4(acetyloxy)3methoxyphenyl)7(4chlorophenyl)2methyl5oxo145678hexahydroquinoline3carboxylate
cyclopentyl4(4acetyloxy3methoxyphenyl)7(4chlorophenyl)2methyl5oxo4678tetrahydro1Hquinoline3carboxylate
InChI=1SC31H32ClNO6c11728(31(36)3923645723)29(20101326(3818(2)34)27(1620)373)3024(3317)1421(1525(30)35)1981122(32)12919h8131621232933H471415H213H3
MFCD01824300
STK006328
ZINC000000861354
ZINC000000861357
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