Vitas-M small molecule compound
N-(2-bromo-4-methylphenyl)-1-{2-[(3,4-dimethoxyphenyl)amino]-2-oxoethyl}-5-methyl-1H-1,2,3-triazole-4-carboxamide
Catalog ID
STL129785
SMILES COc1cc(ccc1OC)NC(=O)Cn1nnc(c1C)C(=O)Nc1ccc(cc1Br)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 C21H22BrN5O4 MW 488.34 g/mol Purity >90% as per NMR
InChI
InChI=1S/C21H22BrN5O4/c1-12-5-7-16(15(22)9-12)24-21(29)20-13(2)27(26-25-20)11-19(28)23-14-6-8-17(30-3)18(10-14)31-4/h5-10H,11H2,1-4H3,(H,23,28)(H,24,29)InChIKey
VCPWGPSETPWELT-UHFFFAOYSA-NSynonyms
CC1=CC(=C(C=C1)NC(=O)C2=C(N(N=N2)CC(=O)NC3=CC(=C(C=C3)OC)OC)C)Br
InChI=1SC21H22BrN5O4c1125716(15(22)912)2421(29)2013(2)27(262520)1119(28)23146817(303)18(1014)314h510H11H214H3(H2328)(H2429)
MFCD20747860
N(2bromo4methylphenyl)1(2((34dimethoxyphenyl)amino)2oxoethyl)5methyl1H123triazole4carboxamide
N(2bromo4methylphenyl)1(2(34dimethoxyanilino)2oxoethyl)5methyltriazole4carboxamide
ZINC000067322939
ZINC67322939
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