Vitas-M small molecule compound
benzyl 2-methyl-5-oxo-4-[4-(propan-2-yloxy)phenyl]-1,4,5,6,7,8-hexahydroquinoline-3-carboxylate
Catalog ID
STK406522
SMILES CC(Oc1ccc(cc1)C1C(=C(C)NC2=C1C(=O)CCC2)C(=O)OCc1ccccc1)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 C27H29NO4 MW 431.53 g/mol Purity >90% as per NMR
InChI
InChI=1S/C27H29NO4/c1-17(2)32-21-14-12-20(13-15-21)25-24(27(30)31-16-19-8-5-4-6-9-19)18(3)28-22-10-7-11-23(29)26(22)25/h4-6,8-9,12-15,17,25,28H,7,10-11,16H2,1-3H3InChIKey
KZRBESXBLONNEJ-UHFFFAOYSA-NSynonyms
benzyl2methyl5oxo4(4(propan2yloxy)phenyl)145678hexahydroquinoline3carboxylate
benzyl2methyl5oxo4(4propan2yloxyphenyl)4678tetrahydro1Hquinoline3carboxylate
CC1=C(C(C2=C(N1)CCCC2=O)C3=CC=C(C=C3)OC(C)C)C(=O)OCC4=CC=CC=C4
InChI=1SC27H29NO4c117(2)3221141220(131521)2524(27(30)3116198546919)18(3)28221071123(29)26(22)25h46891215172528H7101116H213H3
MFCD06000530
ZINC000002868468
ZINC000002868469
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