Vitas-M small molecule compound
tetrahydrofuran-2-ylmethyl 4-[4-(benzyloxy)phenyl]-2-methyl-5-oxo-1,4,5,6,7,8-hexahydroquinoline-3-carboxylate
Catalog ID
STK059160
SMILES O=C(C1=C(C)NC2=C(C1c1ccc(cc1)OCc1ccccc1)C(=O)CCC2)OCC1CCCO1
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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 C29H31NO5 MW 473.57 g/mol Purity >90% as per NMR
InChI
InChI=1S/C29H31NO5/c1-19-26(29(32)35-18-23-9-6-16-33-23)27(28-24(30-19)10-5-11-25(28)31)21-12-14-22(15-13-21)34-17-20-7-3-2-4-8-20/h2-4,7-8,12-15,23,27,30H,5-6,9-11,16-18H2,1H3InChIKey
ITXVFIMQXIDQMQ-UHFFFAOYSA-NSynonyms
CC1=C(C(C2=C(N1)CCCC2=O)C3=CC=C(C=C3)OCC4=CC=CC=C4)C(=O)OCC5CCCO5
InChI=1SC29H31NO5c11926(29(32)35182396163323)27(2824(3019)1051125(28)31)21121422(151321)3417207324820h24781215232730H569111618H21H3
MFCD02375905
O=C(C1=C(C)NC2=C(C1c1ccc(cc1)OCc1ccccc1)C(=O)CCC2)OCC1CCCO1
oxolan2ylmethyl2methyl5oxo4(4phenylmethoxyphenyl)4678tetrahydro1Hquinoline3carboxylate
STK059160
tetrahydrofuran2ylmethyl4(4(benzyloxy)phenyl)2methyl5oxo145678hexahydroquinoline3carboxylate
ZINC000001203300
ZINC000001203316
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