Vitas-M small molecule compound
2-[4-(hexyloxy)phenyl]-3a,4,7,7a-tetrahydro-1H-4,7-methanoisoindole-1,3(2H)-dione
Catalog ID
STL442367
SMILES CCCCCCOc1ccc(cc1)N1C(=O)C2C(C1=O)C1CC2C=C1
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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 C21H25NO3 MW 339.43 g/mol Purity >90% as per NMR
InChI
InChI=1S/C21H25NO3/c1-2-3-4-5-12-25-17-10-8-16(9-11-17)22-20(23)18-14-6-7-15(13-14)19(18)21(22)24/h6-11,14-15,18-19H,2-5,12-13H2,1H3InChIKey
COQRSCUUGISGFN-UHFFFAOYSA-NSynonyms
2(4(hexyloxy)phenyl)3a477atetrahydro1H47methanoisoindole13(2H)dione
CCCCCCOC1=CC=C(C=C1)N2C(=O)C3C4CC(C3C2=O)C=C4
InChI=1SC21H25NO3c1234512251710816(91117)2220(23)18146715(1314)19(18)21(22)24h61114151819H251213H21H3
MFCD19442628
ZINC000103026362
ZINC000106899951
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