Vitas-M small molecule compound
propan-2-yl 7-(4-chlorophenyl)-4-(2-methoxyphenyl)-2-methyl-5-oxo-1,4,5,6,7,8-hexahydroquinoline-3-carboxylate
Catalog ID
STK407271
SMILES COc1ccccc1C1C2=C(CC(CC2=O)c2ccc(cc2)Cl)NC(=C1C(=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 C27H28ClNO4 MW 465.98 g/mol Purity >90% as per NMR
InChI
InChI=1S/C27H28ClNO4/c1-15(2)33-27(31)24-16(3)29-21-13-18(17-9-11-19(28)12-10-17)14-22(30)26(21)25(24)20-7-5-6-8-23(20)32-4/h5-12,15,18,25,29H,13-14H2,1-4H3InChIKey
IFRULVALOPGXBF-UHFFFAOYSA-NSynonyms
330208-93-0330208930
CC1=C(C(C2=C(N1)CC(CC2=O)C3=CC=C(C=C3)Cl)C4=CC=CC=C4OC)C(=O)OC(C)C
InChI=1SC27H28ClNO4c115(2)3327(31)2416(3)29211318(1791119(28)121017)1422(30)26(21)25(24)20756823(20)324h51215182529H1314H214H3
MFCD01590175
propan2yl7(4chlorophenyl)4(2methoxyphenyl)2methyl5oxo145678hexahydroquinoline3carboxylate
propan2yl7(4chlorophenyl)4(2methoxyphenyl)2methyl5oxo4678tetrahydro1Hquinoline3carboxylate
ZINC000001204113
ZINC000001204122
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