Vitas-M small molecule compound
propan-2-yl 4-(3,4-dichlorophenyl)-7-(4-methoxyphenyl)-2-methyl-5-oxo-1,4,5,6,7,8-hexahydroquinoline-3-carboxylate
Catalog ID
STK075597
SMILES COc1ccc(cc1)C1CC(=O)C2=C(C1)NC(=C(C2c1ccc(c(c1)Cl)Cl)C(=O)OC(C)C)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 C27H27Cl2NO4 MW 500.42 g/mol Purity >90% as per NMR
InChI
InChI=1S/C27H27Cl2NO4/c1-14(2)34-27(32)24-15(3)30-22-12-18(16-5-8-19(33-4)9-6-16)13-23(31)26(22)25(24)17-7-10-20(28)21(29)11-17/h5-11,14,18,25,30H,12-13H2,1-4H3InChIKey
CRTNIQBRWJZGGE-UHFFFAOYSA-NSynonyms
CC1=C(C(C2=C(N1)CC(CC2=O)C3=CC=C(C=C3)OC)C4=CC(=C(C=C4)Cl)Cl)C(=O)OC(C)C
COc1ccc(cc1)C1CC(=O)C2=C(C1)NC(=C(C2c1ccc(c(c1)Cl)Cl)C(=O)OC(C)C)C
InChI=1SC27H27Cl2NO4c114(2)3427(32)2415(3)30221218(165819(334)9616)1323(31)26(22)25(24)1771020(28)21(29)1117h51114182530H1213H214H3
MFCD01571665
propan2yl4(34dichlorophenyl)7(4methoxyphenyl)2methyl5oxo145678hexahydroquinoline3carboxylate
propan2yl4(34dichlorophenyl)7(4methoxyphenyl)2methyl5oxo4678tetrahydro1Hquinoline3carboxylate
STK075597
ZINC000000708217
ZINC000000708220
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