Vitas-M small molecule compound

4-{[(E)-{4-methoxy-3-[(4-methyl-2-nitrophenoxy)methyl]phenyl}methylidene]amino}-5-methyl-4H-1,2,4-triazole-3-thiol

Catalog ID
STL173811
SMILES COc1ccc(cc1COc1ccc(cc1[N+](=O)[O-])C)/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 C19H19N5O4S MW 413.46 g/mol Purity >90% as per NMR
InChI
InChI=1S/C19H19N5O4S/c1-12-4-6-18(16(8-12)24(25)26)28-11-15-9-14(5-7-17(15)27-3)10-20-23-13(2)21-22-19(23)29/h4-10H,11H2,1-3H3,(H,22,29)/b20-10+
InChIKey
SEHQNPWYQULJGK-KEBDBYFISA-N
Synonyms
828287-02-1
4(((E)(4methoxy3((4methyl2nitrophenoxy)methyl)phenyl)methylidene)amino)5methyl4H124triazole3thiol
4((E)(4methoxy3((4methyl2nitrophenoxy)methyl)phenyl)methylideneamino)3methyl1H124triazole5thione
828287021
CC1=CC(=C(C=C1)OCC2=C(C=CC(=C2)C=NN3C(=NNC3=S)C)OC)(N+)(=O)(O)
COc1ccc(cc1COc1ccc(cc1(N+)(=O)(O))C)C=Nn1c(C)nnc1S
InChI=1SC19H19N5O4Sc1124618(16(812)24(25)26)281115914(5717(15)273)10202313(2)212219(23)29h410H11H213H3(H2229)b2010+
MFCD04047905
ZINC000002792397
ZINC2792396

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Available files

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