Vitas-M small molecule compound
methyl 7-(4-ethoxy-3-methoxyphenyl)-2-methyl-4-(5-methylfuran-2-yl)-5-oxo-1,4,5,6,7,8-hexahydroquinoline-3-carboxylate
Catalog ID
STK054539
SMILES CCOc1ccc(cc1OC)C1CC(=O)C2=C(C1)NC(=C(C2c1ccc(o1)C)C(=O)OC)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 C26H29NO6 MW 451.52 g/mol Purity >90% as per NMR
InChI
InChI=1S/C26H29NO6/c1-6-32-20-10-8-16(13-22(20)30-4)17-11-18-24(19(28)12-17)25(21-9-7-14(2)33-21)23(15(3)27-18)26(29)31-5/h7-10,13,17,25,27H,6,11-12H2,1-5H3InChIKey
GKXUEDJSVQLJSD-UHFFFAOYSA-NSynonyms
CCOC1=C(C=C(C=C1)C2CC3=C(C(C(=C(N3)C)C(=O)OC)C4=CC=C(O4)C)C(=O)C2)OC
CCOc1ccc(cc1OC)C1CC(=O)C2=C(C1)NC(=C(C2c1ccc(o1)C)C(=O)OC)C
InChI=1SC26H29NO6c16322010816(1322(20)304)17111824(19(28)1217)25(219714(2)3321)23(15(3)2718)26(29)315h71013172527H61112H215H3
methyl7(4ethoxy3methoxyphenyl)2methyl4(5methylfuran2yl)5oxo145678hexahydroquinoline3carboxylate
methyl7(4ethoxy3methoxyphenyl)2methyl4(5methylfuran2yl)5oxo4678tetrahydro1Hquinoline3carboxylate
MFCD03489326
STK054539
ZINC000009434983
ZINC000009434986
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