Vitas-M small molecule compound
2-(1,3-benzodioxol-5-yl)-8-[bis(4-methylphenyl)methylidene]-3a,4,7,7a-tetrahydro-1H-4,7-methanoisoindole-1,3(2H)-dione
Catalog ID
STL384093
SMILES Cc1ccc(cc1)/C(=C\1/C2C=CC1C1C2C(=O)N(C1=O)c1ccc2c(c1)OCO2)/c1ccc(cc1)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 C31H25NO4 MW 475.54 g/mol Purity >90% as per NMR
InChI
InChI=1S/C31H25NO4/c1-17-3-7-19(8-4-17)26(20-9-5-18(2)6-10-20)27-22-12-13-23(27)29-28(22)30(33)32(31(29)34)21-11-14-24-25(15-21)36-16-35-24/h3-15,22-23,28-29H,16H2,1-2H3InChIKey
SQOQKSNNDLOWJL-UHFFFAOYSA-NSynonyms
2(13benzodioxol5yl)8(bis(4methylphenyl)methylidene)3a477atetrahydro1H47methanoisoindole13(2H)dione
CC1=CC=C(C=C1)C(=C2C3C=CC2C4C3C(=O)N(C4=O)C5=CC6=C(C=C5)OCO6)C7=CC=C(C=C7)C
Cc1ccc(cc1)C(=C1C2C=CC1C1C2C(=O)N(C1=O)c1ccc2c(c1)OCO2)c1ccc(cc1)C
InChI=1SC31H25NO4c1173719(8417)26(209518(2)61020)2722121323(27)2928(22)30(33)32(31(29)34)2111142425(1521)36163524h31522232829H16H212H3
MFCD06250319
ZINC000100982529
ZINC000245226922
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