Vitas-M small molecule compound
diethyl 2-(1-benzyl-1H-indol-3-yl)-4-hydroxy-4-methyl-6-oxocyclohexane-1,3-dicarboxylate
Catalog ID
STL444537
SMILES CCOC(=O)C1C(=O)CC(C(C1c1cn(c2c1cccc2)Cc1ccccc1)C(=O)OCC)(C)O
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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 C28H31NO6 MW 477.56 g/mol Purity >90% as per NMR
InChI
InChI=1S/C28H31NO6/c1-4-34-26(31)24-22(30)15-28(3,33)25(27(32)35-5-2)23(24)20-17-29(16-18-11-7-6-8-12-18)21-14-10-9-13-19(20)21/h6-14,17,23-25,33H,4-5,15-16H2,1-3H3InChIKey
LTAHXIJYWLUUQV-UHFFFAOYSA-NSynonyms
1005268-72-31005268723
CCOC(=O)C1C(C(C(CC1=O)(C)O)C(=O)OCC)C2=CN(C3=CC=CC=C32)CC4=CC=CC=C4
DIETHYL2(1BENZYL1HINDOL3YL)4HYDROXY4METHYL6OXO13CYCLOHEXANEDICARBOXYLATE
diethyl2(1benzyl1Hindol3yl)4hydroxy4methyl6oxocyclohexane13dicarboxylate
DIETHYL2(1BENZYLINDOL3YL)4HYDROXY4METHYL6OXOCYCLOHEXANE13DICARBOXYLATE
InChI=1SC28H31NO6c143426(31)2422(30)1528(333)25(27(32)3552)23(24)201729(1618117681218)21141091319(20)21h61417232533H451516H213H3
MFCD03020331
ZINC000008695417
ZINC000016319725
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