Vitas-M small molecule compound
1-{2-[(4-bromo-2-fluorophenyl)amino]-2-oxoethyl}-N-(2,5-dichlorophenyl)-5-methyl-1H-1,2,3-triazole-4-carboxamide
Catalog ID
STL129899
SMILES Brc1ccc(c(c1)F)NC(=O)Cn1nnc(c1C)C(=O)Nc1cc(Cl)ccc1Cl
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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)24-15-7-11(20)3-4-12(15)21)25-26-27(9)8-16(28)23-14-5-2-10(19)6-13(14)22/h2-7H,8H2,1H3,(H,23,28)(H,24,29)InChIKey
LTGGTTGABUMKSU-UHFFFAOYSA-NSynonyms
1(2((4bromo2fluorophenyl)amino)2oxoethyl)N(25dichlorophenyl)5methyl1H123triazole4carboxamide
1(2(4bromo2fluoroanilino)2oxoethyl)N(25dichlorophenyl)5methyltriazole4carboxamide
CC1=C(N=NN1CC(=O)NC2=C(C=C(C=C2)Br)F)C(=O)NC3=C(C=CC(=C3)Cl)Cl
InChI=1SC18H13BrCl2FN5O2c1917(18(29)2415711(20)3412(15)21)252627(9)816(28)23145210(19)613(14)22h27H8H21H3(H2328)(H2429)
MFCD20748045
ZINC000067323243
ZINC67323243
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