Vitas-M small molecule compound
2-(5-chloro-2-methylphenyl)-8-(diphenylmethylidene)-3a,4,7,7a-tetrahydro-1H-4,7-methanoisoindole-1,3(2H)-dione
Catalog ID
STL388316
SMILES Clc1ccc(c(c1)N1C(=O)C2C(C1=O)C1/C(=C(\c3ccccc3)/c3ccccc3)/C2C=C1)C
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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(30)16-23(17)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
ZXMAQVWJQVIJPQ-UHFFFAOYSA-NSynonyms
2(5chloro2methylphenyl)8(diphenylmethylidene)3a477atetrahydro1H47methanoisoindole13(2H)dione
CC1=C(C=C(C=C1)Cl)N2C(=O)C3C4C=CC(C3C2=O)C4=C(C5=CC=CC=C5)C6=CC=CC=C6
Clc1ccc(c(c1)N1C(=O)C2C(C1=O)C1C(=C(c3ccccc3)c3ccccc3)C2C=C1)C
InChI=1SC29H22ClNO2c117121320(30)1623(17)3128(32)2621141522(27(26)29(31)33)25(21)24(188425918)19106371119h21621222627H1H3
MFCD01802365
ZINC000225349006
ZINC000225349077
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