Vitas-M small molecule compound
8-[bis(4-methylphenyl)methylidene]-2-(4-methoxyphenyl)-3a,4,7,7a-tetrahydro-1H-4,7-methanoisoindole-1,3(2H)-dione
Catalog ID
STL445455
SMILES COc1ccc(cc1)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 C31H27NO3 MW 461.56 g/mol Purity >90% as per NMR
InChI
InChI=1S/C31H27NO3/c1-18-4-8-20(9-5-18)26(21-10-6-19(2)7-11-21)27-24-16-17-25(27)29-28(24)30(33)32(31(29)34)22-12-14-23(35-3)15-13-22/h4-17,24-25,28-29H,1-3H3InChIKey
GCBNAOKXIHRNIK-UHFFFAOYSA-NSynonyms
8(bis(4methylphenyl)methylidene)2(4methoxyphenyl)3a477atetrahydro1H47methanoisoindole13(2H)dione
CC1=CC=C(C=C1)C(=C2C3C=CC2C4C3C(=O)N(C4=O)C5=CC=C(C=C5)OC)C6=CC=C(C=C6)C
COc1ccc(cc1)N1C(=O)C2C(C1=O)C1C(=C(c3ccc(cc3)C)c3ccc(cc3)C)C2C=C1
InChI=1SC31H27NO3c1184820(9518)26(2110619(2)71121)2724161725(27)2928(24)30(33)32(31(29)34)22121423(353)151322h41724252829H13H3
MFCD17010797
ZINC000101024644
ZINC000105899599
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