Vitas-M small molecule compound

3-methylphenyl 4-(1,3-dioxooctahydro-2H-isoindol-2-yl)cyclohexanecarboxylate

Catalog ID
STK257979
SMILES O=C(C1CCC(CC1)N1C(=O)C2C(C1=O)CCCC2)Oc1cccc(c1)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 C22H27NO4 MW 369.46 g/mol Purity >90% as per NMR
InChI
InChI=1S/C22H27NO4/c1-14-5-4-6-17(13-14)27-22(26)15-9-11-16(12-10-15)23-20(24)18-7-2-3-8-19(18)21(23)25/h4-6,13,15-16,18-19H,2-3,7-12H2,1H3
InChIKey
PVDKDZDRYPQGKP-UHFFFAOYSA-N
Synonyms

(3methylphenyl)4(13dioxo3a45677ahexahydroisoindol2yl)cyclohexane1carboxylate
3methylphenyl4(13dioxooctahydro2Hisoindol2yl)cyclohexanecarboxylate
CC1=CC(=CC=C1)OC(=O)C2CCC(CC2)N3C(=O)C4CCCCC4C3=O
InChI=1SC22H27NO4c11454617(1314)2722(26)1591116(121015)2320(24)18723819(18)21(23)25h461315161819H23712H21H3
MFCD02916154
ZINC000018243872
ZINC000096610745

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Available files

Download the SDF, MOL, 3D structure and SDS documents from Vitas-M.