Vitas-M small molecule compound

ethyl 2-[1,3-dioxo-8-(propan-2-ylidene)-1,3,3a,4,7,7a-hexahydro-2H-4,7-methanoisoindol-2-yl]benzoate

Catalog ID
STK258080
SMILES CCOC(=O)c1ccccc1N1C(=O)C2C(C1=O)C1C(=C(C)C)C2C=C1

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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 C21H21NO4 MW 351.40 g/mol Purity >90% as per NMR
InChI
InChI=1S/C21H21NO4/c1-4-26-21(25)12-7-5-6-8-15(12)22-19(23)17-13-9-10-14(16(13)11(2)3)18(17)20(22)24/h5-10,13-14,17-18H,4H2,1-3H3
InChIKey
AYHJCTZAMLNUTF-UHFFFAOYSA-N
Synonyms

CCOC(=O)C1=CC=CC=C1N2C(=O)C3C4C=CC(C3C2=O)C4=C(C)C
ethyl2(13dioxo8(propan2ylidene)133a477ahexahydro2H47methanoisoindol2yl)benzoate
InChI=1SC21H21NO4c142621(25)12756815(12)2219(23)171391014(16(13)11(2)3)18(17)20(22)24h51013141718H4H213H3
MFCD01802282
ZINC000101360437
ZINC000101360442

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Available files

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