Vitas-M small molecule compound
2-methylpropyl 4-[3-(benzyloxy)phenyl]-2-methyl-5-oxo-1,4,5,6,7,8-hexahydroquinoline-3-carboxylate
Catalog ID
STK038900
SMILES CC(COC(=O)C1=C(C)NC2=C(C1c1cccc(c1)OCc1ccccc1)C(=O)CCC2)C
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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 C28H31NO4 MW 445.56 g/mol Purity >90% as per NMR
InChI
InChI=1S/C28H31NO4/c1-18(2)16-33-28(31)25-19(3)29-23-13-8-14-24(30)27(23)26(25)21-11-7-12-22(15-21)32-17-20-9-5-4-6-10-20/h4-7,9-12,15,18,26,29H,8,13-14,16-17H2,1-3H3InChIKey
WHXBHKJHHJDCRF-UHFFFAOYSA-NSynonyms
2methylpropyl2methyl5oxo4(3phenylmethoxyphenyl)4678tetrahydro1Hquinoline3carboxylate
2methylpropyl4(3(benzyloxy)phenyl)2methyl5oxo145678hexahydroquinoline3carboxylate
CC(COC(=O)C1=C(C)NC2=C(C1c1cccc(c1)OCc1ccccc1)C(=O)CCC2)C
CC1=C(C(C2=C(N1)CCCC2=O)C3=CC(=CC=C3)OCC4=CC=CC=C4)C(=O)OCC(C)C
InChI=1SC28H31NO4c118(2)163328(31)2519(3)29231381424(30)27(23)26(25)211171222(1521)32172095461020h4791215182629H813141617H213H3
MFCD02188000
STK038900
ZINC000001213056
ZINC000001213061
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