Vitas-M small molecule compound
cyclopentyl 4-(1,3-benzodioxol-5-yl)-7-(4-ethoxy-3-methoxyphenyl)-2-methyl-5-oxo-1,4,5,6,7,8-hexahydroquinoline-3-carboxylate
Catalog ID
STK403451
SMILES CCOc1ccc(cc1OC)C1CC(=O)C2=C(C1)NC(=C(C2c1ccc2c(c1)OCO2)C(=O)OC1CCCC1)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 C32H35NO7 MW 545.63 g/mol Purity >90% as per NMR
InChI
InChI=1S/C32H35NO7/c1-4-37-25-11-9-19(15-27(25)36-3)21-13-23-31(24(34)14-21)30(20-10-12-26-28(16-20)39-17-38-26)29(18(2)33-23)32(35)40-22-7-5-6-8-22/h9-12,15-16,21-22,30,33H,4-8,13-14,17H2,1-3H3InChIKey
SAFLHYQXSVLJEQ-UHFFFAOYSA-NSynonyms
CCOC1=C(C=C(C=C1)C2CC3=C(C(C(=C(N3)C)C(=O)OC4CCCC4)C5=CC6=C(C=C5)OCO6)C(=O)C2)OC
cyclopentyl4(13benzodioxol5yl)7(4ethoxy3methoxyphenyl)2methyl5oxo145678hexahydroquinoline3carboxylate
cyclopentyl4(13benzodioxol5yl)7(4ethoxy3methoxyphenyl)2methyl5oxo4678tetrahydro1Hquinoline3carboxylate
InChI=1SC32H35NO7c14372511919(1527(25)363)21132331(24(34)1421)30(2010122628(1620)39173826)29(18(2)3323)32(35)4022756822h912151621223033H48131417H213H3
MFCD03489286
ZINC000001077314
ZINC000001077325
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