Vitas-M small molecule compound
2,2'-(benzene-1,4-diylbis{[(1E)-3-oxoprop-1-ene-1,3-diyl]benzene-3,1-diyl})bis(3a,4,7,7a-tetrahydro-1H-4,7-methanoisoindole-1,3(2H)-dione)
Catalog ID
STK295944
SMILES O=C1N(c2cccc(c2)C(=O)/C=C/c2ccc(cc2)/C=C/C(=O)c2cccc(c2)N2C(=O)C3C(C2=O)C2CC3C=C2)C(=O)C2C1C1C=CC2C1
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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 C42H32N2O6 MW 660.73 g/mol Purity >90% as per NMR
InChI
InChI=1S/C42H32N2O6/c45-33(25-3-1-5-31(21-25)43-39(47)35-27-13-14-28(19-27)36(35)40(43)48)17-11-23-7-9-24(10-8-23)12-18-34(46)26-4-2-6-32(22-26)44-41(49)37-29-15-16-30(20-29)38(37)42(44)50/h1-18,21-22,27-30,35-38H,19-20H2/b17-11+,18-12+InChIKey
PQXXVDIJRHWNPM-JYFOCSDGSA-NSynonyms
22(benzene14diylbis(((1E)3oxoprop1ene13diyl)benzene31diyl))bis(3a477atetrahydro1H47methanoisoindole13(2H)dione)
C1C2C=CC1C3C2C(=O)N(C3=O)C4=CC=CC(=C4)C(=O)C=CC5=CC=C(C=C5)C=CC(=O)C6=CC(=CC=C6)N7C(=O)C8C9CC(C8C7=O)C=C9
InChI=1SC42H32N2O6c4533(2531531(2125)4339(47)3527131428(1927)36(35)40(43)48)1711237924(10823)121834(46)2642632(2226)4441(49)3729151630(2029)38(37)42(44)50h118212227303538H1920H2b1711+1812+
MFCD00303832
O=C1N(c2cccc(c2)C(=O)C=Cc2ccc(cc2)C=CC(=O)c2cccc(c2)N2C(=O)C3C(C2=O)C2CC3C=C2)C(=O)C2C1C1C=CC2C1
ZINC000151367869
ZINC000245311661
Check stock
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Check stock on Vitas-MAvailable files
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