Vitas-M small molecule compound
2-(4-ethoxyphenyl)-4,7-diethyl-5,6-diphenyl-3a,4,7,7a-tetrahydro-1H-4,7-methanoisoindole-1,3,8(2H)-trione
Catalog ID
STK536730
SMILES CCOc1ccc(cc1)N1C(=O)C2C(C1=O)C1(C(=O)C2(CC)C(=C1c1ccccc1)c1ccccc1)CC
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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 C33H31NO4 MW 505.61 g/mol Purity >90% as per NMR
InChI
InChI=1S/C33H31NO4/c1-4-32-25(21-13-9-7-10-14-21)26(22-15-11-8-12-16-22)33(5-2,31(32)37)28-27(32)29(35)34(30(28)36)23-17-19-24(20-18-23)38-6-3/h7-20,27-28H,4-6H2,1-3H3InChIKey
HFXKSAJGGYANSD-UHFFFAOYSA-NSynonyms
(3aR4S7S7aS)2(4ethoxyphenyl)47diethyl56diphenyl3a477atetrahydro1H47methanoisoindole138(2H)trione
2(4ethoxyphenyl)47diethyl56diphenyl3a477atetrahydro1H47methanoisoindole138(2H)trione
CCC12C3C(C(=O)N(C3=O)C4=CC=C(C=C4)OCC)C(C1=O)(C(=C2C5=CC=CC=C5)C6=CC=CC=C6)CC
InChI=1SC33H31NO4c143225(211397101421)26(2215118121622)33(5231(32)37)2827(32)29(35)34(30(28)36)23171924(201823)3863h7202728H46H213H3
MFCD00843716
ZINC000100772454
ZINC000169616417
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