Vitas-M small molecule compound
2-(5-acetyl-2-methoxyphenyl)-5,6-bis(4-methylphenyl)-4,7-diphenyl-3a,4,7,7a-tetrahydro-1H-4,7-methanoisoindole-1,3,8(2H)-trione
Catalog ID
STK266148
SMILES COc1ccc(cc1N1C(=O)C2C(C1=O)C1(C(=O)C2(c2ccccc2)C(=C1c1ccc(cc1)C)c1ccc(cc1)C)c1ccccc1)C(=O)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 C44H35NO5 MW 657.77 g/mol Purity >90% as per NMR
InChI
InChI=1S/C44H35NO5/c1-26-15-19-29(20-16-26)36-37(30-21-17-27(2)18-22-30)44(33-13-9-6-10-14-33)39-38(43(36,42(44)49)32-11-7-5-8-12-32)40(47)45(41(39)48)34-25-31(28(3)46)23-24-35(34)50-4/h5-25,38-39H,1-4H3InChIKey
VMGRDSCIXPOFON-UHFFFAOYSA-NSynonyms
2(5acetyl2methoxyphenyl)56bis(4methylphenyl)47diphenyl3a477atetrahydro1H47methanoisoindole138(2H)trione
CC1=CC=C(C=C1)C2=C(C3(C4C(C2(C3=O)C5=CC=CC=C5)C(=O)N(C4=O)C6=C(C=CC(=C6)C(=O)C)OC)C7=CC=CC=C7)C8=CC=C(C=C8)C
InChI=1SC44H35NO5c126151929(201626)3637(30211727(2)182230)44(331396101433)3938(43(3642(44)49)32117581232)40(47)45(41(39)48)342531(28(3)46)232435(34)504h5253839H14H3
MFCD01802219
ZINC000169316346
ZINC000169316352
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