Vitas-M small molecule compound
1-[2-(1,3-benzodioxol-5-ylamino)-2-oxoethyl]-N-(2-bromo-4-methylphenyl)-5-methyl-1H-1,2,3-triazole-4-carboxamide
Catalog ID
STL129759
SMILES Cc1ccc(c(c1)Br)NC(=O)c1nnn(c1C)CC(=O)Nc1ccc2c(c1)OCO2
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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 C20H18BrN5O4 MW 472.30 g/mol Purity >90% as per NMR
InChI
InChI=1S/C20H18BrN5O4/c1-11-3-5-15(14(21)7-11)23-20(28)19-12(2)26(25-24-19)9-18(27)22-13-4-6-16-17(8-13)30-10-29-16/h3-8H,9-10H2,1-2H3,(H,22,27)(H,23,28)InChIKey
RRQOESKQGAMBKW-UHFFFAOYSA-NSynonyms
1(2(13benzodioxol5ylamino)2oxoethyl)N(2bromo4methylphenyl)5methyl1H123triazole4carboxamide
1(2(13benzodioxol5ylamino)2oxoethyl)N(2bromo4methylphenyl)5methyltriazole4carboxamide
CC1=CC(=C(C=C1)NC(=O)C2=C(N(N=N2)CC(=O)NC3=CC4=C(C=C3)OCO4)C)Br
InChI=1SC20H18BrN5O4c1113515(14(21)711)2320(28)1912(2)26(252419)918(27)2213461617(813)30102916h38H910H212H3(H2227)(H2328)
MFCD20747834
ZINC000067322864
ZINC67322864
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