Vitas-M small molecule compound
2-phenylethyl 7-(4-methoxyphenyl)-2-methyl-5-oxo-4-(pyridin-4-yl)-1,4,5,6,7,8-hexahydroquinoline-3-carboxylate
Catalog ID
STK019445
SMILES COc1ccc(cc1)C1CC(=O)C2=C(C1)NC(=C(C2c1ccncc1)C(=O)OCCc1ccccc1)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 C31H30N2O4 MW 494.59 g/mol Purity >90% as per NMR
InChI
InChI=1S/C31H30N2O4/c1-20-28(31(35)37-17-14-21-6-4-3-5-7-21)29(23-12-15-32-16-13-23)30-26(33-20)18-24(19-27(30)34)22-8-10-25(36-2)11-9-22/h3-13,15-16,24,29,33H,14,17-19H2,1-2H3InChIKey
QSIMVHYUETVKLU-UHFFFAOYSA-NSynonyms
2phenylethyl7(4methoxyphenyl)2methyl5oxo4(pyridin4yl)145678hexahydroquinoline3carboxylate
2phenylethyl7(4methoxyphenyl)2methyl5oxo4pyridin4yl4678tetrahydro1Hquinoline3carboxylate
CC1=C(C(C2=C(N1)CC(CC2=O)C3=CC=C(C=C3)OC)C4=CC=NC=C4)C(=O)OCCC5=CC=CC=C5
COc1ccc(cc1)C1CC(=O)C2=C(C1)NC(=C(C2c1ccncc1)C(=O)OCCc1ccccc1)C
InChI=1SC31H30N2O4c12028(31(35)371714216435721)29(23121532161323)3026(3320)1824(1927(30)34)2281025(362)11922h3131516242933H141719H212H3
MFCD01824312
STK019445
ZINC000019760742
ZINC000019760750
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