Vitas-M small molecule compound
(3aR,7aS)-2-[3-(3,5-dimethylphenoxy)-5-nitrophenyl]hexahydro-1H-isoindole-1,3(2H)-dione
Catalog ID
STK311245
SMILES Cc1cc(Oc2cc(cc(c2)N2C(=O)[C@@H]3[C@H](C2=O)CCCC3)[N+](=O)[O-])cc(c1)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/c1-13-7-14(2)9-17(8-13)29-18-11-15(10-16(12-18)24(27)28)23-21(25)19-5-3-4-6-20(19)22(23)26/h7-12,19-20H,3-6H2,1-2H3/t19-,20+InChIKey
WAIJJNQONBNSJG-BGYRXZFFSA-NSynonyms
1052581-85-7(3aR7aS)2(3(35dimethylphenoxy)5nitrophenyl)hexahydro1Hisoindole13(2H)dione
(3aS7aR)2(3(35dimethylphenoxy)5nitrophenyl)3a45677ahexahydroisoindole13dione
1052581857
CC1=CC(=CC(=C1)OC2=CC(=CC(=C2)(N+)(=O)(O))N3C(=O)C4CCCCC4C3=O)C
Cc1cc(Oc2cc(cc(c2)N2C(=O)(C@@H)3(C@H)(C2=O)CCCC3)(N+)(=O)(O))cc(c1)C
InChI=1SC22H22N2O5c113714(2)917(813)29181115(1016(1218)24(27)28)2321(25)19534620(19)22(23)26h7121920H36H212H3t1920+
MFCD04059528
ZINC000006399883
ZINC06399883
ZINC6399883
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