Vitas-M small molecule compound

2-{[(E)-(4,5-dimethoxy-2-nitrophenyl)methylidene]amino}-3a,4,7,7a-tetrahydro-1H-4,7-methanoisoindole-1,3(2H)-dione

Catalog ID
STL387417
SMILES COc1cc(/C=N/N2C(=O)C3C(C2=O)C2CC3C=C2)c(cc1OC)[N+](=O)[O-]

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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 C18H17N3O6 MW 371.35 g/mol Purity >90% as per NMR
InChI
InChI=1S/C18H17N3O6/c1-26-13-6-11(12(21(24)25)7-14(13)27-2)8-19-20-17(22)15-9-3-4-10(5-9)16(15)18(20)23/h3-4,6-10,15-16H,5H2,1-2H3/b19-8+
InChIKey
QGINOGHQZNHHKP-UFWORHAWSA-N
Synonyms

2(((E)(45dimethoxy2nitrophenyl)methylidene)amino)3a477atetrahydro1H47methanoisoindole13(2H)dione
COC1=C(C=C(C(=C1)C=NN2C(=O)C3C4CC(C3C2=O)C=C4)(N+)(=O)(O))OC
COc1cc(C=NN2C(=O)C3C(C2=O)C2CC3C=C2)c(cc1OC)(N+)(=O)(O)
InChI=1SC18H17N3O6c12613611(12(21(24)25)714(13)272)8192017(22)1593410(59)16(15)18(20)23h346101516H5H212H3b198+
MFCD01142263
ZINC000100531482
ZINC000105212692

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Available files

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