Vitas-M small molecule compound
cyclopentyl 4-[4-(acetyloxy)-3-ethoxyphenyl]-7-(4-methoxyphenyl)-2-methyl-5-oxo-1,4,5,6,7,8-hexahydroquinoline-3-carboxylate
Catalog ID
STK090229
SMILES CCOc1cc(ccc1OC(=O)C)C1C2=C(CC(CC2=O)c2ccc(cc2)OC)NC(=C1C(=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 C33H37NO7 MW 559.66 g/mol Purity >90% as per NMR
InChI
InChI=1S/C33H37NO7/c1-5-39-29-18-22(12-15-28(29)40-20(3)35)31-30(33(37)41-25-8-6-7-9-25)19(2)34-26-16-23(17-27(36)32(26)31)21-10-13-24(38-4)14-11-21/h10-15,18,23,25,31,34H,5-9,16-17H2,1-4H3InChIKey
PJIHGRNVAHJACS-UHFFFAOYSA-NSynonyms
CCOC1=C(C=CC(=C1)C2C3=C(CC(CC3=O)C4=CC=C(C=C4)OC)NC(=C2C(=O)OC5CCCC5)C)OC(=O)C
CCOc1cc(ccc1OC(=O)C)C1C2=C(CC(CC2=O)c2ccc(cc2)OC)NC(=C1C(=O)OC1CCCC1)C
cyclopentyl4(4(acetyloxy)3ethoxyphenyl)7(4methoxyphenyl)2methyl5oxo145678hexahydroquinoline3carboxylate
cyclopentyl4(4acetyloxy3ethoxyphenyl)7(4methoxyphenyl)2methyl5oxo4678tetrahydro1Hquinoline3carboxylate
InChI=1SC33H37NO7c1539291822(121528(29)4020(3)35)3130(33(37)4125867925)19(2)34261623(1727(36)32(26)31)21101324(384)141121h10151823253134H591617H214H3
MFCD01655985
STK090229
ZINC000100079939
ZINC000100079947
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