Vitas-M small molecule compound
methyl 2-{8-[bis(4-methylphenyl)methylidene]-1,3-dioxo-1,3,3a,4,7,7a-hexahydro-2H-4,7-methanoisoindol-2-yl}benzoate
Catalog ID
STL384094
SMILES COC(=O)c1ccccc1N1C(=O)C2C(C1=O)C1/C(=C(/c3ccc(cc3)C)\c3ccc(cc3)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 C32H27NO4 MW 489.57 g/mol Purity >90% as per NMR
InChI
InChI=1S/C32H27NO4/c1-18-8-12-20(13-9-18)26(21-14-10-19(2)11-15-21)27-23-16-17-24(27)29-28(23)30(34)33(31(29)35)25-7-5-4-6-22(25)32(36)37-3/h4-17,23-24,28-29H,1-3H3InChIKey
MBUZLQHZBJEZQJ-UHFFFAOYSA-NSynonyms
CC1=CC=C(C=C1)C(=C2C3C=CC2C4C3C(=O)N(C4=O)C5=CC=CC=C5C(=O)OC)C6=CC=C(C=C6)C
COC(=O)c1ccccc1N1C(=O)C2C(C1=O)C1C(=C(c3ccc(cc3)C)c3ccc(cc3)C)C2C=C1
InChI=1SC32H27NO4c11881220(13918)26(21141019(2)111521)2723161724(27)2928(23)30(34)33(31(29)35)25754622(25)32(36)373h41723242829H13H3
methyl2(8(bis(4methylphenyl)methylidene)13dioxo133a477ahexahydro2H47methanoisoindol2yl)benzoate
MFCD03785347
ZINC000102799710
ZINC000103130427
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