Vitas-M small molecule compound

4-(2-methylbutan-2-yl)phenyl 4-(1,3-dioxooctahydro-2H-4,7-methanoisoindol-2-yl)benzoate

Catalog ID
STK286500
SMILES CCC(c1ccc(cc1)OC(=O)c1ccc(cc1)N1C(=O)C2C(C1=O)C1CC2CC1)(C)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 C27H29NO4 MW 431.53 g/mol Purity >90% as per NMR
InChI
InChI=1S/C27H29NO4/c1-4-27(2,3)19-9-13-21(14-10-19)32-26(31)16-7-11-20(12-8-16)28-24(29)22-17-5-6-18(15-17)23(22)25(28)30/h7-14,17-18,22-23H,4-6,15H2,1-3H3
InChIKey
RQSKSUQUROCAQH-UHFFFAOYSA-N
Synonyms

4(2methylbutan2yl)phenyl4(13dioxooctahydro2H47methanoisoindol2yl)benzoate
CCC(C)(C)C1=CC=C(C=C1)OC(=O)C2=CC=C(C=C2)N3C(=O)C4C5CCC(C5)C4C3=O
InChI=1SC27H29NO4c1427(23)1991321(141019)3226(31)1671120(12816)2824(29)22175618(1517)23(22)25(28)30h71417182223H4615H213H3
MFCD03577262
ZINC000102518740
ZINC000102641588

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Available files

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