Vitas-M small molecule compound
3-benzyl-1-{[(E)-(4-chlorophenyl)methylidene]amino}-4-(methylcarbamoyl)-1H-1,2,3-triazol-3-ium-5-olate
Catalog ID
STL442174
SMILES CNC(=O)c1[n+](Cc2ccccc2)nn(c1[O-])/N=C/c1ccc(cc1)Cl
Contact us by email for worldwide delivery information, pricing, and real‑time availability. Send us your quotation request, and we will confirm stock levels, provide exact costs and lead times, suggest alternatives or find analogs when helpful, and share any additional specifications you may need.
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 C18H16ClN5O2 MW 369.81 g/mol Purity >90% as per NMR
InChI
InChI=1S/C18H16ClN5O2/c1-20-17(25)16-18(26)24(21-11-13-7-9-15(19)10-8-13)22-23(16)12-14-5-3-2-4-6-14/h2-11H,12H2,1H3,(H-,20,22,25,26)/b21-11+InChIKey
HJTKQXMDYPAIRR-SRZZPIQSSA-NSynonyms
1benzyl3((E)(4chlorophenyl)methylideneamino)5(methylcarbamoyl)triazol1ium4olate
3benzyl1(((E)(4chlorophenyl)methylidene)amino)4(methylcarbamoyl)1H123triazol3ium5olate
CNC(=O)c1(n+)(Cc2ccccc2)nn(c1(O))N=Cc1ccc(cc1)Cl
CNC(=O)C1=C(N(N=(N+)1CC2=CC=CC=C2)N=CC3=CC=C(C=C3)Cl)(O)
InChI=1SC18H16ClN5O2c12017(25)1618(26)24(2111137915(19)10813)2223(16)12145324614h211H12H21H3(H20222526)b2111+
MFCD09992859
ZINC000033436114
Check stock
See real-time availability and sample size for STL442174 on the Vitas-M platform.
Check stock on Vitas-MAvailable files
Download the SDF, MOL, 3D structure and SDS documents from Vitas-M.