Vitas-M small molecule compound
5,6-bis(1,3-benzodioxol-5-yl)-2-(4-methyl-3-nitrophenyl)-4,7-diphenyl-3a,4,7,7a-tetrahydro-1H-4,7-methanoisoindole-1,3,8(2H)-trione
Catalog ID
STK673266
SMILES O=C1N(c2ccc(c(c2)[N+](=O)[O-])C)C(=O)C2C1C1(c3ccccc3)C(=C(C2(C1=O)c1ccccc1)c1ccc2c(c1)OCO2)c1ccc2c(c1)OCO2
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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 C42H28N2O9 MW 704.69 g/mol Purity >90% as per NMR
InChI
InChI=1S/C42H28N2O9/c1-23-12-15-28(20-29(23)44(48)49)43-38(45)36-37(39(43)46)42(27-10-6-3-7-11-27)35(25-14-17-31-33(19-25)53-22-51-31)34(24-13-16-30-32(18-24)52-21-50-30)41(36,40(42)47)26-8-4-2-5-9-26/h2-20,36-37H,21-22H2,1H3InChIKey
RRBSAVGXHSQHTH-UHFFFAOYSA-NSynonyms
56bis(13benzodioxol5yl)2(4methyl3nitrophenyl)47diphenyl3a477atetrahydro1H47methanoisoindole138(2H)trione
CC1=C(C=C(C=C1)N2C(=O)C3C(C2=O)C4(C(=C(C3(C4=O)C5=CC=CC=C5)C6=CC7=C(C=C6)OCO7)C8=CC9=C(C=C8)OCO9)C1=CC=CC=C1)(N+)(=O)(O)
InChI=1SC42H28N2O9c123121528(2029(23)44(48)49)4338(45)3637(39(43)46)42(27106371127)35(2514173133(1925)53225131)34(2413163032(1824)52215030)41(3640(42)47)268425926h2203637H2122H21H3
MFCD01113646
O=C1N(c2ccc(c(c2)(N+)(=O)(O))C)C(=O)C2C1C1(c3ccccc3)C(=C(C2(C1=O)c1ccccc1)c1ccc2c(c1)OCO2)c1ccc2c(c1)OCO2
ZINC000150355794
ZINC000150355797
Check stock
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Check stock on Vitas-MAvailable files
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