Vitas-M small molecule compound
tetrahydrofuran-2-ylmethyl 4-[2-(benzyloxy)phenyl]-2-methyl-5-oxo-1,4,5,6,7,8-hexahydroquinoline-3-carboxylate
Catalog ID
STK083264
SMILES O=C(C1=C(C)NC2=C(C1c1ccccc1OCc1ccccc1)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)35-18-21-11-8-16-33-21)27(28-23(30-19)13-7-14-24(28)31)22-12-5-6-15-25(22)34-17-20-9-3-2-4-10-20/h2-6,9-10,12,15,21,27,30H,7-8,11,13-14,16-18H2,1H3InChIKey
GQPKQMMTUQDVGD-UHFFFAOYSA-NSynonyms
CC1=C(C(C2=C(N1)CCCC2=O)C3=CC=CC=C3OCC4=CC=CC=C4)C(=O)OCC5CCCO5
InChI=1SC29H31NO5c11926(29(32)351821118163321)27(2823(3019)1371424(28)31)2212561525(22)34172093241020h269101215212730H781113141618H21H3
MFCD02375986
O=C(C1=C(C)NC2=C(C1c1ccccc1OCc1ccccc1)C(=O)CCC2)OCC1CCCO1
oxolan2ylmethyl2methyl5oxo4(2phenylmethoxyphenyl)4678tetrahydro1Hquinoline3carboxylate
STK083264
tetrahydrofuran2ylmethyl4(2(benzyloxy)phenyl)2methyl5oxo145678hexahydroquinoline3carboxylate
ZINC000019760860
ZINC000019760869
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