Vitas-M small molecule compound
3-[5,6-bis(1,3-benzodioxol-5-yl)-1,3,8-trioxo-4,7-diphenyl-1,3,3a,4,7,7a-hexahydro-2H-4,7-methanoisoindol-2-yl]benzoic acid
Catalog ID
STK264395
SMILES OC(=O)c1cccc(c1)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 C42H27NO9 MW 689.68 g/mol Purity >90% as per NMR
InChI
InChI=1S/C42H27NO9/c44-37-35-36(38(45)43(37)28-13-7-8-25(18-28)39(46)47)42(27-11-5-2-6-12-27)34(24-15-17-30-32(20-24)52-22-50-30)33(23-14-16-29-31(19-23)51-21-49-29)41(35,40(42)48)26-9-3-1-4-10-26/h1-20,35-36H,21-22H2,(H,46,47)InChIKey
ITIULPFYRWHFDR-UHFFFAOYSA-NSynonyms
3(56bis(13benzodioxol5yl)138trioxo47diphenyl133a477ahexahydro2H47methanoisoindol2yl)benzoicacid
C1OC2=C(O1)C=C(C=C2)C3=C(C4(C5C(C3(C4=O)C6=CC=CC=C6)C(=O)N(C5=O)C7=CC=CC(=C7)C(=O)O)C8=CC=CC=C8)C9=CC1=C(C=C9)OCO1
InChI=1SC42H27NO9c44373536(38(45)43(37)28137825(1828)39(46)47)42(27115261227)34(2415173032(2024)52225030)33(2314162931(1923)51214929)41(3540(42)48)2693141026h1203536H2122H2(H4647)
MFCD01113513
ZINC000150355671
ZINC000169683782
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