Vitas-M small molecule compound
4-{[(E)-{4-methoxy-3-[(4-nitrophenoxy)methyl]phenyl}methylidene]amino}-5-methyl-4H-1,2,4-triazole-3-thiol
Catalog ID
STK307231
SMILES COc1ccc(cc1COc1ccc(cc1)[N+](=O)[O-])/C=N/n1c(C)nnc1S
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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/c1-12-20-21-18(28)22(12)19-10-13-3-8-17(26-2)14(9-13)11-27-16-6-4-15(5-7-16)23(24)25/h3-10H,11H2,1-2H3,(H,21,28)/b19-10+InChIKey
BMIHIUPMIPCTGY-VXLYETTFSA-NSynonyms
828290-60-44(((E)(4methoxy3((4nitrophenoxy)methyl)phenyl)methylidene)amino)5methyl4H124triazole3thiol
4((E)(4methoxy3((4nitrophenoxy)methyl)phenyl)methylideneamino)3methyl1H124triazole5thione
828290604
CC1=NNC(=S)N1N=CC2=CC(=C(C=C2)OC)COC3=CC=C(C=C3)(N+)(=O)(O)
COc1ccc(cc1COc1ccc(cc1)(N+)(=O)(O))C=Nn1c(C)nnc1S
InChI=1SC18H17N5O4Sc112202118(28)22(12)1910133817(262)14(913)1127166415(5716)23(24)25h310H11H212H3(H2128)b1910+
MFCD04056639
ZINC000002793239
ZINC33580366
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