Vitas-M small molecule compound

methyl 3-(1,3-dioxo-1,3,3a,4,7,7a-hexahydro-2H-spiro[2-aza-4,7-methanoisoindole-8,1'-cyclopropan]-2-yl)benzoate

Catalog ID
STK281876
SMILES COC(=O)c1cccc(c1)N1C(=O)C2C(C1=O)C1C3(C2C=C1)CC3

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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 C19H17NO4 MW 323.35 g/mol Purity >90% as per NMR
InChI
InChI=1S/C19H17NO4/c1-24-18(23)10-3-2-4-11(9-10)20-16(21)14-12-5-6-13(15(14)17(20)22)19(12)7-8-19/h2-6,9,12-15H,7-8H2,1H3
InChIKey
JJWXQESESDNASB-UHFFFAOYSA-N
Synonyms
433264-68-7
433264687
BENZOICACID3(133A477A(2H)HEXAHYDRO47CYCLOPROPYLIDENE13DIOXOISOINDOL2YLMETHYLESTER
COC(=O)C1=CC(=CC=C1)N2C(=O)C3C4C=CC(C3C2=O)C45CC5
InChI=1SC19H17NO4c12418(23)1032411(910)2016(21)14125613(15(14)17(20)22)19(12)7819h2691215H78H21H3
methyl3(13dioxo133a477ahexahydro2Hspiro(2aza47methanoisoindole81cyclopropan)2yl)benzoate
MFCD02276804
ZINC000100842445
ZINC000100842452

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Available files

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