Vitas-M small molecule compound
cyclopentyl 4-(1,3-benzodioxol-5-yl)-7-(4-methoxyphenyl)-2-methyl-5-oxo-1,4,5,6,7,8-hexahydroquinoline-3-carboxylate
Catalog ID
STK402496
SMILES COc1ccc(cc1)C1CC2=C(C(=O)C1)C(C(=C(N2)C)C(=O)OC1CCCC1)c1ccc2c(c1)OCO2
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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 C30H31NO6 MW 501.58 g/mol Purity >90% as per NMR
InChI
InChI=1S/C30H31NO6/c1-17-27(30(33)37-22-5-3-4-6-22)28(19-9-12-25-26(15-19)36-16-35-25)29-23(31-17)13-20(14-24(29)32)18-7-10-21(34-2)11-8-18/h7-12,15,20,22,28,31H,3-6,13-14,16H2,1-2H3InChIKey
XONPCGYGGUGLMB-UHFFFAOYSA-NSynonyms
CC1=C(C(C2=C(N1)CC(CC2=O)C3=CC=C(C=C3)OC)C4=CC5=C(C=C4)OCO5)C(=O)OC6CCCC6
cyclopentyl4(13benzodioxol5yl)7(4methoxyphenyl)2methyl5oxo145678hexahydroquinoline3carboxylate
cyclopentyl4(13benzodioxol5yl)7(4methoxyphenyl)2methyl5oxo4678tetrahydro1Hquinoline3carboxylate
InChI=1SC30H31NO6c11727(30(33)3722534622)28(199122526(1519)36163525)2923(3117)1320(1424(29)32)1871021(342)11818h7121520222831H36131416H212H3
MFCD01655979
ZINC000000861037
ZINC000000861040
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