Vitas-M small molecule compound
cyclopentyl 4-[3-(benzyloxy)phenyl]-2-methyl-5-oxo-1,4,5,6,7,8-hexahydroquinoline-3-carboxylate
Catalog ID
STK002267
SMILES O=C(C1=C(C)NC2=C(C1c1cccc(c1)OCc1ccccc1)C(=O)CCC2)OC1CCCC1
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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 C29H31NO4 MW 457.57 g/mol Purity >90% as per NMR
InChI
InChI=1S/C29H31NO4/c1-19-26(29(32)34-22-12-5-6-13-22)27(28-24(30-19)15-8-16-25(28)31)21-11-7-14-23(17-21)33-18-20-9-3-2-4-10-20/h2-4,7,9-11,14,17,22,27,30H,5-6,8,12-13,15-16,18H2,1H3InChIKey
LJLRXKHWUPBPDS-UHFFFAOYSA-NSynonyms
CC1=C(C(C2=C(N1)CCCC2=O)C3=CC(=CC=C3)OCC4=CC=CC=C4)C(=O)OC5CCCC5
cyclopentyl2methyl5oxo4(3phenylmethoxyphenyl)4678tetrahydro1Hquinoline3carboxylate
cyclopentyl4(3(benzyloxy)phenyl)2methyl5oxo145678hexahydroquinoline3carboxylate
InChI=1SC29H31NO4c11926(29(32)342212561322)27(2824(3019)1581625(28)31)211171423(1721)33182093241020h2479111417222730H5681213151618H21H3
MFCD02633309
O=C(C1=C(C)NC2=C(C1c1cccc(c1)OCc1ccccc1)C(=O)CCC2)OC1CCCC1
STK002267
ZINC000001213344
ZINC000001213347
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