Vitas-M small molecule compound
2-{3-[3-(3-nitrophenyl)-1,2,4-oxadiazol-5-yl]phenyl}hexahydro-1H-4,7-methanoisoindole-1,3(2H)-dione
Catalog ID
STL059430
SMILES O=C1N(c2cccc(c2)c2onc(n2)c2cccc(c2)[N+](=O)[O-])C(=O)C2C1C1CCC2C1
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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 C23H18N4O5 MW 430.42 g/mol Purity >90% as per NMR
InChI
InChI=1S/C23H18N4O5/c28-22-18-12-7-8-13(9-12)19(18)23(29)26(22)16-5-2-4-15(11-16)21-24-20(25-32-21)14-3-1-6-17(10-14)27(30)31/h1-6,10-13,18-19H,7-9H2InChIKey
PPRKBCRKRWLLLW-UHFFFAOYSA-NSynonyms
1212079-30-5(3AR4S7S7AS)2(3(3(3NITROPHENYL)124OXADIAZOL5YL)PHENYL)HEXAHYDRO1H47METHANOISOINDOLE13(2H)DIONE
1212079305
2(3(3(3nitrophenyl)124oxadiazol5yl)phenyl)hexahydro1H47methanoisoindole13(2H)dione
C1CC2CC1C3C2C(=O)N(C3=O)C4=CC=CC(=C4)C5=NC(=NO5)C6=CC(=CC=C6)(N+)(=O)(O)
InChI=1SC23H18N4O5c282218127813(912)19(18)23(29)26(22)1652415(1116)212420(253221)1431617(1014)27(30)31h1610131819H79H2
MFCD04156230
O=C1N(c2cccc(c2)c2onc(n2)c2cccc(c2)(N+)(=O)(O))C(=O)C2C1C1CCC2C1
ZINC000101094268
ZINC000245242243
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