Vitas-M small molecule compound
5-amino-N-(3,4-difluorophenyl)-1-{2-[(3,4-dimethylphenyl)amino]-2-oxoethyl}-1H-1,2,3-triazole-4-carboxamide
Catalog ID
STL081824
SMILES O=C(Cn1nnc(c1N)C(=O)Nc1ccc(c(c1)F)F)Nc1ccc(c(c1)C)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 C19H18F2N6O2 MW 400.39 g/mol Purity >90% as per NMR
InChI
InChI=1S/C19H18F2N6O2/c1-10-3-4-12(7-11(10)2)23-16(28)9-27-18(22)17(25-26-27)19(29)24-13-5-6-14(20)15(21)8-13/h3-8H,9,22H2,1-2H3,(H,23,28)(H,24,29)InChIKey
XESPLIGMVHWIGS-UHFFFAOYSA-NSynonyms
5aminoN(34difluorophenyl)1(2((34dimethylphenyl)amino)2oxoethyl)1H123triazole4carboxamide
5aminoN(34difluorophenyl)1(2(34dimethylanilino)2oxoethyl)triazole4carboxamide
CC1=C(C=C(C=C1)NC(=O)CN2C(=C(N=N2)C(=O)NC3=CC(=C(C=C3)F)F)N)C
InChI=1SC19H18F2N6O2c1103412(711(10)2)2316(28)92718(22)17(252627)19(29)24135614(20)15(21)813h38H922H212H3(H2328)(H2429)
MFCD14928098
ZINC000006999768
ZINC06999768
ZINC6999768
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