Vitas-M small molecule compound
1-oxo-1-phenylpropan-2-yl 2-(1,3-dioxo-1,3,3a,4,7,7a-hexahydro-2H-4,7-methanoisoindol-2-yl)benzoate
Catalog ID
STK269450
SMILES O=C1C2C3C=CC(C2C(=O)N1c1ccccc1C(=O)OC(C(=O)c1ccccc1)C)C3
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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 C25H21NO5 MW 415.45 g/mol Purity >90% as per NMR
InChI
InChI=1S/C25H21NO5/c1-14(22(27)15-7-3-2-4-8-15)31-25(30)18-9-5-6-10-19(18)26-23(28)20-16-11-12-17(13-16)21(20)24(26)29/h2-12,14,16-17,20-21H,13H2,1H3InChIKey
NOSQYNFDECZMMB-UHFFFAOYSA-NSynonyms
(2R)1OXO1PHENYLPROPAN2YL2((3AR4S7S7AS)13DIOXO133A477AHEXAHYDRO2H47METHANOISOINDOL2YL)BENZOATE
1oxo1phenylpropan2yl2(13dioxo133a477ahexahydro2H47methanoisoindol2yl)benzoate
CC(C(=O)C1=CC=CC=C1)OC(=O)C2=CC=CC=C2N3C(=O)C4C5CC(C4C3=O)C=C5
InChI=1SC25H21NO5c114(22(27)157324815)3125(30)189561019(18)2623(28)2016111217(1316)21(20)24(26)29h2121416172021H13H21H3
MFCD02614352
ZINC000100603661
ZINC000239165160
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