Vitas-M small molecule compound
N'-[(E)-{4-methoxy-3-[(3-methyl-4-nitrophenoxy)methyl]phenyl}methylidene]-4,5,6,7-tetrahydro-1-benzothiophene-3-carbohydrazide
Catalog ID
STK316124
SMILES COc1ccc(cc1COc1ccc(c(c1)C)[N+](=O)[O-])/C=N/NC(=O)c1csc2c1CCCC2
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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 C25H25N3O5S MW 479.56 g/mol Purity >90% as per NMR
InChI
InChI=1S/C25H25N3O5S/c1-16-11-19(8-9-22(16)28(30)31)33-14-18-12-17(7-10-23(18)32-2)13-26-27-25(29)21-15-34-24-6-4-3-5-20(21)24/h7-13,15H,3-6,14H2,1-2H3,(H,27,29)/b26-13+InChIKey
ABOKLFYZIIVWNY-LGJNPRDNSA-NSynonyms
444924-73-6444924736
CC1=C(C=CC(=C1)OCC2=C(C=CC(=C2)C=NNC(=O)C3=CSC4=C3CCCC4)OC)(N+)(=O)(O)
COc1ccc(cc1COc1ccc(c(c1)C)(N+)(=O)(O))C=NNC(=O)c1csc2c1CCCC2
InChI=1SC25H25N3O5Sc1161119(8922(16)28(30)31)3314181217(71023(18)322)13262725(29)21153424643520(21)24h71315H3614H212H3(H2729)b2613+
MFCD02606151
N((E)(4methoxy3((3methyl4nitrophenoxy)methyl)phenyl)methylidene)4567tetrahydro1benzothiophene3carbohydrazide
N((E)(4methoxy3((3methyl4nitrophenoxy)methyl)phenyl)methylideneamino)4567tetrahydro1benzothiophene3carboxamide
ZINC000002089590
ZINC33348199
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