Vitas-M small molecule compound
2-(3-chloro-4-methylphenyl)-8-(diphenylmethylidene)-3a,4,7,7a-tetrahydro-1H-4,7-methanoisoindole-1,3(2H)-dione
Catalog ID
STL388319
SMILES O=C1N(c2ccc(c(c2)Cl)C)C(=O)C2C1C1C=CC2/C/1=C(\c1ccccc1)/c1ccccc1
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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 C29H22ClNO2 MW 451.95 g/mol Purity >90% as per NMR
InChI
InChI=1S/C29H22ClNO2/c1-17-12-13-20(16-23(17)30)31-28(32)26-21-14-15-22(27(26)29(31)33)25(21)24(18-8-4-2-5-9-18)19-10-6-3-7-11-19/h2-16,21-22,26-27H,1H3InChIKey
JIVWCXVJEPEHHK-UHFFFAOYSA-NSynonyms
2(3chloro4methylphenyl)8(diphenylmethylidene)3a477atetrahydro1H47methanoisoindole13(2H)dione
CC1=C(C=C(C=C1)N2C(=O)C3C4C=CC(C3C2=O)C4=C(C5=CC=CC=C5)C6=CC=CC=C6)Cl
InChI=1SC29H22ClNO2c117121320(1623(17)30)3128(32)2621141522(27(26)29(31)33)25(21)24(188425918)19106371119h21621222627H1H3
MFCD01070619
O=C1N(c2ccc(c(c2)Cl)C)C(=O)C2C1C1C=CC2C1=C(c1ccccc1)c1ccccc1
ZINC000222248923
ZINC000244691765
Check stock
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