Vitas-M small molecule compound
butan-2-yl 7-(4-chlorophenyl)-4-(2,4-dimethoxyphenyl)-2-methyl-5-oxo-1,4,5,6,7,8-hexahydroquinoline-3-carboxylate
Catalog ID
STK060275
SMILES CCC(OC(=O)C1=C(C)NC2=C(C1c1ccc(cc1OC)OC)C(=O)CC(C2)c1ccc(cc1)Cl)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 C29H32ClNO5 MW 510.03 g/mol Purity >90% as per NMR
InChI
InChI=1S/C29H32ClNO5/c1-6-16(2)36-29(33)26-17(3)31-23-13-19(18-7-9-20(30)10-8-18)14-24(32)28(23)27(26)22-12-11-21(34-4)15-25(22)35-5/h7-12,15-16,19,27,31H,6,13-14H2,1-5H3InChIKey
LQIXZGMQNMHKER-UHFFFAOYSA-NSynonyms
345237-48-1345237481
butan2yl7(4chlorophenyl)4(24dimethoxyphenyl)2methyl5oxo145678hexahydroquinoline3carboxylate
butan2yl7(4chlorophenyl)4(24dimethoxyphenyl)2methyl5oxo4678tetrahydro1Hquinoline3carboxylate
CCC(C)OC(=O)C1=C(NC2=C(C1C3=C(C=C(C=C3)OC)OC)C(=O)CC(C2)C4=CC=C(C=C4)Cl)C
CCC(OC(=O)C1=C(C)NC2=C(C1c1ccc(cc1OC)OC)C(=O)CC(C2)c1ccc(cc1)Cl)C
InChI=1SC29H32ClNO5c1616(2)3629(33)2617(3)31231319(187920(30)10818)1424(32)28(23)27(26)22121121(344)1525(22)355h7121516192731H61314H215H3
MFCD01873718
STK060275
ZINC000001202605
ZINC000035982126
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