Vitas-M small molecule compound
1-{2-[(4-bromo-2-fluorophenyl)amino]-2-oxoethyl}-N-(3,5-dichlorophenyl)-5-methyl-1H-1,2,3-triazole-4-carboxamide
Catalog ID
STL129897
SMILES Brc1ccc(c(c1)F)NC(=O)Cn1nnc(c1C)C(=O)Nc1cc(Cl)cc(c1)Cl
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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 C18H13BrCl2FN5O2 MW 501.14 g/mol Purity >90% as per NMR
InChI
InChI=1S/C18H13BrCl2FN5O2/c1-9-17(18(29)23-13-6-11(20)5-12(21)7-13)25-26-27(9)8-16(28)24-15-3-2-10(19)4-14(15)22/h2-7H,8H2,1H3,(H,23,29)(H,24,28)InChIKey
HQVNNCKQCJJDPG-UHFFFAOYSA-NSynonyms
1(2((4bromo2fluorophenyl)amino)2oxoethyl)N(35dichlorophenyl)5methyl1H123triazole4carboxamide
1(2(4bromo2fluoroanilino)2oxoethyl)N(35dichlorophenyl)5methyltriazole4carboxamide
CC1=C(N=NN1CC(=O)NC2=C(C=C(C=C2)Br)F)C(=O)NC3=CC(=CC(=C3)Cl)Cl
InChI=1SC18H13BrCl2FN5O2c1917(18(29)2313611(20)512(21)713)252627(9)816(28)24153210(19)414(15)22h27H8H21H3(H2329)(H2428)
MFCD20748043
ZINC000067323241
ZINC67323241
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