Vitas-M small molecule compound
2-{[(E)-(4,5-dimethoxy-2-nitrophenyl)methylidene]amino}-4,5,6,7-tetrahydro-1-benzothiophene-3-carbonitrile
Catalog ID
STK377030
SMILES COc1cc(/C=N/c2sc3c(c2C#N)CCCC3)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 C18H17N3O4S MW 371.42 g/mol Purity >90% as per NMR
InChI
InChI=1S/C18H17N3O4S/c1-24-15-7-11(14(21(22)23)8-16(15)25-2)10-20-18-13(9-19)12-5-3-4-6-17(12)26-18/h7-8,10H,3-6H2,1-2H3/b20-10+InChIKey
DXWSZINWWQPQSA-KEBDBYFISA-NSynonyms
2(((E)(45dimethoxy2nitrophenyl)methylidene)amino)4567tetrahydro1benzothiophene3carbonitrile
2((E)(45dimethoxy2nitrophenyl)methylideneamino)4567tetrahydro1benzothiophene3carbonitrile
COC1=C(C=C(C(=C1)C=NC2=C(C3=C(S2)CCCC3)C#N)(N+)(=O)(O))OC
COc1cc(C=Nc2sc3c(c2C#N)CCCC3)c(cc1OC)(N+)(=O)(O)
InChI=1SC18H17N3O4Sc12415711(14(21(22)23)816(15)252)10201813(919)12534617(12)2618h7810H36H212H3b2010+
MFCD00851279
ZINC000000993834
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