Vitas-M small molecule compound
1-{2-[(4-bromophenyl)amino]-2-oxoethyl}-N-(2,5-dimethoxyphenyl)-5-methyl-1H-1,2,3-triazole-4-carboxamide
Catalog ID
STL129679
SMILES COc1ccc(c(c1)NC(=O)c1nnn(c1C)CC(=O)Nc1ccc(cc1)Br)OC
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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 C20H20BrN5O4 MW 474.31 g/mol Purity >90% as per NMR
InChI
InChI=1S/C20H20BrN5O4/c1-12-19(20(28)23-16-10-15(29-2)8-9-17(16)30-3)24-25-26(12)11-18(27)22-14-6-4-13(21)5-7-14/h4-10H,11H2,1-3H3,(H,22,27)(H,23,28)InChIKey
UTHVHQUMAVCPLU-UHFFFAOYSA-NSynonyms
1(2((4bromophenyl)amino)2oxoethyl)N(25dimethoxyphenyl)5methyl1H123triazole4carboxamide
1(2(4bromoanilino)2oxoethyl)N(25dimethoxyphenyl)5methyltriazole4carboxamide
CC1=C(N=NN1CC(=O)NC2=CC=C(C=C2)Br)C(=O)NC3=C(C=CC(=C3)OC)OC
InChI=1SC20H20BrN5O4c11219(20(28)23161015(292)8917(16)303)242526(12)1118(27)22146413(21)5714h410H11H213H3(H2227)(H2328)
MFCD20747633
ZINC000067322615
ZINC67322615
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