Vitas-M small molecule compound
3-(cyanomethyl)-1-methyl-4-(phenylcarbamoyl)-1H-1,2,3-triazol-3-ium-5-olate
Catalog ID
STL448403
SMILES N#CC[n+]1nn(c(c1C(=O)Nc1ccccc1)[O-])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 C12H11N5O2 MW 257.25 g/mol Purity >90% as per NMR
InChI
InChI=1S/C12H11N5O2/c1-16-12(19)10(17(15-16)8-7-13)11(18)14-9-5-3-2-4-6-9/h2-6H,8H2,1H3,(H-,14,15,18,19)InChIKey
AZKAYLHTUIXHQG-UHFFFAOYSA-NSynonyms
1(CYANOMETHYL)3METHYL5(PHENYLCARBAMOYL)TRIAZOL3IUM4OLATE
3(cyanomethyl)1methyl4(phenylcarbamoyl)1H123triazol3ium5olate
4(ANILINOCARBONYL)3(CYANOMETHYL)1METHYL1H123TRIAZOL3IUM5OLATE
C(N+)1=NN(C(=C1(O))C(=O)NC2=CC=CC=C2)CC#N
InChI=1SC12H11N5O2c11612(19)10(17(1516)8713)11(18)149532469h26H8H21H3(H14151819)
MFCD07773845
N#CC(n+)1nn(c(c1C(=O)Nc1ccccc1)(O))C
ZINC000005274787
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