Vitas-M small molecule compound
2,3-dimethylphenyl 3-(1,3-dioxo-1,3,3a,4,7,7a-hexahydro-2H-4,7-methanoisoindol-2-yl)benzoate
Catalog ID
STK252997
SMILES O=C1N(c2cccc(c2)C(=O)Oc2cccc(c2C)C)C(=O)C2C1C1C=CC2C1
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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 C24H21NO4 MW 387.44 g/mol Purity >90% as per NMR
InChI
InChI=1S/C24H21NO4/c1-13-5-3-8-19(14(13)2)29-24(28)17-6-4-7-18(12-17)25-22(26)20-15-9-10-16(11-15)21(20)23(25)27/h3-10,12,15-16,20-21H,11H2,1-2H3InChIKey
BIJGGMBCZOGQSJ-UHFFFAOYSA-NSynonyms
23DIMETHYLPHENYL3((3AR4S7S7AS)13DIOXO133A477AHEXAHYDRO2H47METHANOISOINDOL2YL)BENZOATE
23dimethylphenyl3(13dioxo133a477ahexahydro2H47methanoisoindol2yl)benzoate
CC1=C(C(=CC=C1)OC(=O)C2=CC(=CC=C2)N3C(=O)C4C5CC(C4C3=O)C=C5)C
InChI=1SC24H21NO4c11353819(14(13)2)2924(28)1764718(1217)2522(26)201591016(1115)21(20)23(25)27h3101215162021H11H212H3
MFCD03070720
ZINC000100915141
ZINC000239025265
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