Vitas-M small molecule compound
tetrahydrofuran-2-ylmethyl 4-[4-(benzyloxy)-3-methoxyphenyl]-2-methyl-5-oxo-1,4,5,6,7,8-hexahydroquinoline-3-carboxylate
Catalog ID
STK363667
SMILES COc1cc(ccc1OCc1ccccc1)C1C(=C(C)NC2=C1C(=O)CCC2)C(=O)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 C30H33NO6 MW 503.60 g/mol Purity >90% as per NMR
InChI
InChI=1S/C30H33NO6/c1-19-27(30(33)37-18-22-10-7-15-35-22)28(29-23(31-19)11-6-12-24(29)32)21-13-14-25(26(16-21)34-2)36-17-20-8-4-3-5-9-20/h3-5,8-9,13-14,16,22,28,31H,6-7,10-12,15,17-18H2,1-2H3InChIKey
VVUHKPKZDPEWLK-UHFFFAOYSA-NSynonyms
CC1=C(C(C2=C(N1)CCCC2=O)C3=CC(=C(C=C3)OCC4=CC=CC=C4)OC)C(=O)OCC5CCCO5
InChI=1SC30H33NO6c11927(30(33)371822107153522)28(2923(3119)1161224(29)32)21131425(26(1621)342)3617208435920h3589131416222831H671012151718H212H3
MFCD01461853
oxolan2ylmethyl4(3methoxy4phenylmethoxyphenyl)2methyl5oxo4678tetrahydro1Hquinoline3carboxylate
tetrahydrofuran2ylmethyl4(4(benzyloxy)3methoxyphenyl)2methyl5oxo145678hexahydroquinoline3carboxylate
ZINC000019760955
ZINC000019760964
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