Vitas-M small molecule compound
4-{[(E)-{4-methoxy-3-[(3-methyl-4-nitrophenoxy)methyl]phenyl}methylidene]amino}-4H-1,2,4-triazole-3-thiol
Catalog ID
STK306978
SMILES COc1ccc(cc1COc1ccc(c(c1)C)[N+](=O)[O-])/C=N/n1cnnc1S
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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 C18H17N5O4S MW 399.43 g/mol Purity >90% as per NMR
InChI
InChI=1S/C18H17N5O4S/c1-12-7-15(4-5-16(12)23(24)25)27-10-14-8-13(3-6-17(14)26-2)9-20-22-11-19-21-18(22)28/h3-9,11H,10H2,1-2H3,(H,21,28)/b20-9+InChIKey
DFHYPLLDMOCGIA-AWQFTUOYSA-NSynonyms
828286-91-54(((E)(4methoxy3((3methyl4nitrophenoxy)methyl)phenyl)methylidene)amino)4H124triazole3thiol
4((E)(4methoxy3((3methyl4nitrophenoxy)methyl)phenyl)methylideneamino)1H124triazole5thione
828286915
CC1=C(C=CC(=C1)OCC2=C(C=CC(=C2)C=NN3C=NNC3=S)OC)(N+)(=O)(O)
COc1ccc(cc1COc1ccc(c(c1)C)(N+)(=O)(O))C=Nn1cnnc1S
InChI=1SC18H17N5O4Sc112715(4516(12)23(24)25)271014813(3617(14)262)9202211192118(22)28h3911H10H212H3(H2128)b209+
MFCD04047806
ZINC000002792368
ZINC33796121
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