Vitas-M small molecule compound

4-(1,3-dioxo-1,3,3a,4,7,7a-hexahydro-2H-4,7-methanoisoindol-2-yl)-N-[4-(4-methylphenoxy)phenyl]cyclohexanecarboxamide

Catalog ID
STK274611
SMILES O=C(C1CCC(CC1)N1C(=O)C2C(C1=O)C1CC2C=C1)Nc1ccc(cc1)Oc1ccc(cc1)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 C29H30N2O4 MW 470.57 g/mol Purity >90% as per NMR
InChI
InChI=1S/C29H30N2O4/c1-17-2-12-23(13-3-17)35-24-14-8-21(9-15-24)30-27(32)18-6-10-22(11-7-18)31-28(33)25-19-4-5-20(16-19)26(25)29(31)34/h2-5,8-9,12-15,18-20,22,25-26H,6-7,10-11,16H2,1H3,(H,30,32)
InChIKey
QNGZCVKHJVJROG-UHFFFAOYSA-N
Synonyms

4(13dioxo133a477ahexahydro2H47methanoisoindol2yl)N(4(4methylphenoxy)phenyl)cyclohexanecarboxamide
CC1=CC=C(C=C1)OC2=CC=C(C=C2)NC(=O)C3CCC(CC3)N4C(=O)C5C6CC(C5C4=O)C=C6
InChI=1SC29H30N2O4c11721223(13317)352414821(91524)3027(32)1861022(11718)3128(33)25194520(1619)26(25)29(31)34h258912151820222526H67101116H21H3(H3032)
MFCD02870970
ZINC000100619303
ZINC000101257489

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Available files

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