Vitas-M small molecule compound
cyclopentyl 4-[2-(benzyloxy)phenyl]-2-methyl-5-oxo-1,4,5,6,7,8-hexahydroquinoline-3-carboxylate
Catalog ID
STK372407
SMILES O=C(C1=C(C)NC2=C(C1c1ccccc1OCc1ccccc1)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)34-21-12-5-6-13-21)27(28-23(30-19)15-9-16-24(28)31)22-14-7-8-17-25(22)33-18-20-10-3-2-4-11-20/h2-4,7-8,10-11,14,17,21,27,30H,5-6,9,12-13,15-16,18H2,1H3InChIKey
QHZVPFCKEZYONP-UHFFFAOYSA-NSynonyms
CC1=C(C(C2=C(N1)CCCC2=O)C3=CC=CC=C3OCC4=CC=CC=C4)C(=O)OC5CCCC5
cyclopentyl2methyl5oxo4(2phenylmethoxyphenyl)4678tetrahydro1Hquinoline3carboxylate
cyclopentyl4(2(benzyloxy)phenyl)2methyl5oxo145678hexahydroquinoline3carboxylate
InChI=1SC29H31NO4c11926(29(32)342112561321)27(2823(3019)1591624(28)31)2214781725(22)331820103241120h247810111417212730H5691213151618H21H3
MFCD00771151
ZINC000003098447
ZINC000003098448
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