Vitas-M small molecule compound
5-amino-N-(3-chloro-4-fluorophenyl)-1-{2-[(3,5-dimethylphenyl)amino]-2-oxoethyl}-1H-1,2,3-triazole-4-carboxamide
Catalog ID
STL081425
SMILES O=C(Cn1nnc(c1N)C(=O)Nc1ccc(c(c1)Cl)F)Nc1cc(C)cc(c1)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 C19H18ClFN6O2 MW 416.84 g/mol Purity >90% as per NMR
InChI
InChI=1S/C19H18ClFN6O2/c1-10-5-11(2)7-13(6-10)23-16(28)9-27-18(22)17(25-26-27)19(29)24-12-3-4-15(21)14(20)8-12/h3-8H,9,22H2,1-2H3,(H,23,28)(H,24,29)InChIKey
BTWOTOISZLLQBW-UHFFFAOYSA-NSynonyms
5aminoN(3chloro4fluorophenyl)1(2((35dimethylphenyl)amino)2oxoethyl)1H123triazole4carboxamide
5AMINON(3CHLORO4FLUOROPHENYL)1(2(35DIMETHYLANILINO)2OXOETHYL)TRIAZOLE4CARBOXAMIDE
CC1=CC(=CC(=C1)NC(=O)CN2C(=C(N=N2)C(=O)NC3=CC(=C(C=C3)F)Cl)N)C
InChI=1SC19H18ClFN6O2c110511(2)713(610)2316(28)92718(22)17(252627)19(29)24123415(21)14(20)812h38H922H212H3(H2328)(H2429)
MFCD06751124
ZINC000005043097
ZINC05043097
ZINC5043097
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