Vitas-M small molecule compound
(3aR,7aS)-2-[3-(2,5-dimethylphenoxy)-5-nitrophenyl]hexahydro-1H-isoindole-1,3(2H)-dione
Catalog ID
STL178290
SMILES Cc1ccc(c(c1)Oc1cc(cc(c1)N1C(=O)[C@@H]2[C@H](C1=O)CCCC2)[N+](=O)[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 C22H22N2O5 MW 394.43 g/mol Purity >90% as per NMR
InChI
InChI=1S/C22H22N2O5/c1-13-7-8-14(2)20(9-13)29-17-11-15(10-16(12-17)24(27)28)23-21(25)18-5-3-4-6-19(18)22(23)26/h7-12,18-19H,3-6H2,1-2H3/t18-,19+InChIKey
KWIYIFWYRGGOGZ-KDURUIRLSA-NSynonyms
1053068-35-1(3aR7aS)2(3(25dimethylphenoxy)5nitrophenyl)3a45677ahexahydroisoindole13dione
(3aR7aS)2(3(25dimethylphenoxy)5nitrophenyl)hexahydro1Hisoindole13(2H)dione
1053068351
CC1=CC(=C(C=C1)C)OC2=CC(=CC(=C2)(N+)(=O)(O))N3C(=O)C4CCCCC4C3=O
Cc1ccc(c(c1)Oc1cc(cc(c1)N1C(=O)(C@@H)2(C@H)(C1=O)CCCC2)(N+)(=O)(O))C
InChI=1SC22H22N2O5c1137814(2)20(913)29171115(1016(1217)24(27)28)2321(25)18534619(18)22(23)26h7121819H36H212H3t1819+
MFCD04138256
ZINC000006922595
ZINC06922595
ZINC6922595
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