Vitas-M small molecule compound
benzyl 4-(3-fluorophenyl)-7-(4-methoxyphenyl)-2-methyl-5-oxo-1,4,5,6,7,8-hexahydroquinoline-3-carboxylate
Catalog ID
STK015800
SMILES COc1ccc(cc1)C1CC(=O)C2=C(C1)NC(=C(C2c1cccc(c1)F)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 C31H28FNO4 MW 497.57 g/mol Purity >90% as per NMR
InChI
InChI=1S/C31H28FNO4/c1-19-28(31(35)37-18-20-7-4-3-5-8-20)29(22-9-6-10-24(32)15-22)30-26(33-19)16-23(17-27(30)34)21-11-13-25(36-2)14-12-21/h3-15,23,29,33H,16-18H2,1-2H3InChIKey
AZQRADFHUDGCHG-UHFFFAOYSA-NSynonyms
benzyl4(3fluorophenyl)7(4methoxyphenyl)2methyl5oxo145678hexahydroquinoline3carboxylate
benzyl4(3fluorophenyl)7(4methoxyphenyl)2methyl5oxo4678tetrahydro1Hquinoline3carboxylate
CC1=C(C(C2=C(N1)CC(CC2=O)C3=CC=C(C=C3)OC)C4=CC(=CC=C4)F)C(=O)OCC5=CC=CC=C5
COc1ccc(cc1)C1CC(=O)C2=C(C1)NC(=C(C2c1cccc(c1)F)C(=O)OCc1ccccc1)C
InChI=1SC31H28FNO4c11928(31(35)3718207435820)29(22961024(32)1522)3026(3319)1623(1727(30)34)21111325(362)141221h315232933H1618H212H3
MFCD02632893
STK015800
ZINC000001201726
ZINC000001201736
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