Vitas-M small molecule compound
5-[(3,4-dimethylphenyl)amino]-N-(2-fluorobenzyl)-1H-1,2,3-triazole-4-carboxamide
Catalog ID
STL098702
SMILES O=C(c1nn[nH]c1Nc1ccc(c(c1)C)C)NCc1ccccc1F
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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 C18H18FN5O MW 339.37 g/mol Purity >90% as per NMR
InChI
InChI=1S/C18H18FN5O/c1-11-7-8-14(9-12(11)2)21-17-16(22-24-23-17)18(25)20-10-13-5-3-4-6-15(13)19/h3-9H,10H2,1-2H3,(H,20,25)(H2,21,22,23,24)InChIKey
MMLWROPJUGJQRW-UHFFFAOYSA-NSynonyms
5((34dimethylphenyl)amino)N(2fluorobenzyl)1H123triazole4carboxamide
5(34dimethylanilino)N((2fluorophenyl)methyl)2Htriazole4carboxamide
CC1=C(C=C(C=C1)NC2=NNN=C2C(=O)NCC3=CC=CC=C3F)C
InChI=1SC18H18FN5Oc1117814(912(11)2)211716(22242317)18(25)201013534615(13)19h39H10H212H3(H2025)(H221222324)
MFCD18789945
O=C(c1nn(nH)c1Nc1ccc(c(c1)C)C)NCc1ccccc1F
ZINC000067283918
ZINC67283918
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