Vitas-M small molecule compound
methyl 3-{8-[bis(4-methylphenyl)methylidene]-1,3-dioxo-1,3,3a,4,7,7a-hexahydro-2H-4,7-methanoisoindol-2-yl}benzoate
Catalog ID
STL384077
SMILES COC(=O)c1cccc(c1)N1C(=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/c1-18-7-11-20(12-8-18)26(21-13-9-19(2)10-14-21)27-24-15-16-25(27)29-28(24)30(34)33(31(29)35)23-6-4-5-22(17-23)32(36)37-3/h4-17,24-25,28-29H,1-3H3InChIKey
MMFNLLQRMBCXHQ-UHFFFAOYSA-NSynonyms
CC1=CC=C(C=C1)C(=C2C3C=CC2C4C3C(=O)N(C4=O)C5=CC=CC(=C5)C(=O)OC)C6=CC=C(C=C6)C
COC(=O)c1cccc(c1)N1C(=O)C2C(C1=O)C1C(=C(c3ccc(cc3)C)c3ccc(cc3)C)C2C=C1
InChI=1SC32H27NO4c11871120(12818)26(2113919(2)101421)2724151625(27)2928(24)30(34)33(31(29)35)2364522(1723)32(36)373h41724252829H13H3
methyl3(8(bis(4methylphenyl)methylidene)13dioxo133a477ahexahydro2H47methanoisoindol2yl)benzoate
MFCD03993048
ZINC000101025120
ZINC000101894422
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