Vitas-M small molecule compound
methyl 3-[1,3-dioxo-8-(propan-2-ylidene)-1,3,3a,4,7,7a-hexahydro-2H-4,7-methanoisoindol-2-yl]benzoate
Catalog ID
STK258083
SMILES COC(=O)c1cccc(c1)N1C(=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 C20H19NO4 MW 337.38 g/mol Purity >90% as per NMR
InChI
InChI=1S/C20H19NO4/c1-10(2)15-13-7-8-14(15)17-16(13)18(22)21(19(17)23)12-6-4-5-11(9-12)20(24)25-3/h4-9,13-14,16-17H,1-3H3InChIKey
VDCQPEPOOWUBBH-UHFFFAOYSA-NSynonyms
346418-81-3346418813
CC(=C1C2C=CC1C3C2C(=O)N(C3=O)C4=CC=CC(=C4)C(=O)OC)C
InChI=1SC20H19NO4c110(2)15137814(15)1716(13)18(22)21(19(17)23)1264511(912)20(24)253h4913141617H13H3
methyl3(13dioxo8(propan2ylidene)133a477ahexahydro2H47methanoisoindol2yl)benzoate
MFCD01802287
ZINC000100186959
ZINC000100842509
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