Vitas-M small molecule compound
5,6-bis(1,3-benzodioxol-5-yl)-2-(4-methoxy-2-nitrophenyl)-4,7-diphenyl-3a,4,7,7a-tetrahydro-1H-4,7-methanoisoindole-1,3,8(2H)-trione
Catalog ID
STK264397
SMILES COc1ccc(c(c1)[N+](=O)[O-])N1C(=O)C2C(C1=O)C1(C(=O)C2(c2ccccc2)C(=C1c1ccc2c(c1)OCO2)c1ccc2c(c1)OCO2)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 C42H28N2O10 MW 720.69 g/mol Purity >90% as per NMR
InChI
InChI=1S/C42H28N2O10/c1-50-27-14-15-28(29(20-27)44(48)49)43-38(45)36-37(39(43)46)42(26-10-6-3-7-11-26)35(24-13-17-31-33(19-24)54-22-52-31)34(23-12-16-30-32(18-23)53-21-51-30)41(36,40(42)47)25-8-4-2-5-9-25/h2-20,36-37H,21-22H2,1H3InChIKey
PGNOVAQIPFQSMJ-UHFFFAOYSA-NSynonyms
56bis(13benzodioxol5yl)2(4methoxy2nitrophenyl)47diphenyl3a477atetrahydro1H47methanoisoindole138(2H)trione
COC1=CC(=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)
COc1ccc(c(c1)(N+)(=O)(O))N1C(=O)C2C(C1=O)C1(C(=O)C2(c2ccccc2)C(=C1c1ccc2c(c1)OCO2)c1ccc2c(c1)OCO2)c1ccccc1
InChI=1SC42H28N2O10c15027141528(29(2027)44(48)49)4338(45)3637(39(43)46)42(26106371126)35(2413173133(1924)54225231)34(2312163032(1823)53215130)41(3640(42)47)258425925h2203637H2122H21H3
MFCD01113549
ZINC000150355693
ZINC000150355697
Check stock
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Check stock on Vitas-MAvailable files
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