Vitas-M small molecule compound

3-methyl-4-(methylcarbamoyl)-1-{[(E)-(4-methylphenyl)methylidene]amino}-1H-1,2,3-triazol-3-ium-5-olate

Catalog ID
STL439644
SMILES CNC(=O)c1[n+](C)nn(c1[O-])/N=C/c1ccc(cc1)C

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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 C13H15N5O2 MW 273.29 g/mol Purity >90% as per NMR
InChI
InChI=1S/C13H15N5O2/c1-9-4-6-10(7-5-9)8-15-18-13(20)11(12(19)14-2)17(3)16-18/h4-8H,1-3H3,(H-,14,16,19,20)/b15-8+
InChIKey
HSGHHZWHDMTMNC-OVCLIPMQSA-N
Synonyms

1methyl5(methylcarbamoyl)3((E)(4methylphenyl)methylideneamino)triazol1ium4olate
3methyl4(methylcarbamoyl)1(((E)(4methylphenyl)methylidene)amino)1H123triazol3ium5olate
CC1=CC=C(C=C1)C=NN2C(=C((N+)(=N2)C)C(=O)NC)(O)
CNC(=O)c1(n+)(C)nn(c1(O))N=Cc1ccc(cc1)C
InChI=1SC13H15N5O2c194610(759)8151813(20)11(12(19)142)17(3)1618h48H13H3(H14161920)b158+
MFCD09992409
ZINC000033431757

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Available files

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