Vitas-M small molecule compound
butan-2-yl 4-[4-(acetyloxy)-3-ethoxyphenyl]-7-(4-chlorophenyl)-2-methyl-5-oxo-1,4,5,6,7,8-hexahydroquinoline-3-carboxylate
Catalog ID
STK363828
SMILES CCOc1cc(ccc1OC(=O)C)C1C(=C(C)NC2=C1C(=O)CC(C2)c1ccc(cc1)Cl)C(=O)OC(CC)C
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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 C31H34ClNO6 MW 552.07 g/mol Purity >90% as per NMR
InChI
InChI=1S/C31H34ClNO6/c1-6-17(3)38-31(36)28-18(4)33-24-14-22(20-8-11-23(32)12-9-20)15-25(35)30(24)29(28)21-10-13-26(39-19(5)34)27(16-21)37-7-2/h8-13,16-17,22,29,33H,6-7,14-15H2,1-5H3InChIKey
NUWXYZYFUCDFPK-UHFFFAOYSA-NSynonyms
butan2yl4(4(acetyloxy)3ethoxyphenyl)7(4chlorophenyl)2methyl5oxo145678hexahydroquinoline3carboxylate
butan2yl4(4acetyloxy3ethoxyphenyl)7(4chlorophenyl)2methyl5oxo4678tetrahydro1Hquinoline3carboxylate
CCC(C)OC(=O)C1=C(NC2=C(C1C3=CC(=C(C=C3)OC(=O)C)OCC)C(=O)CC(C2)C4=CC=C(C=C4)Cl)C
InChI=1SC31H34ClNO6c1617(3)3831(36)2818(4)33241422(2081123(32)12920)1525(35)30(24)29(28)21101326(3919(5)34)27(1621)3772h8131617222933H671415H215H3
MFCD01825213
ZINC000059696275
ZINC000169619720
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