Vitas-M small molecule compound
methyl 2-({[2-(4-bromophenyl)-4-oxopyrazolo[1,5-d][1,2,4]triazin-5(4H)-yl]acetyl}amino)benzoate
Catalog ID
STL124223
SMILES COC(=O)c1ccccc1NC(=O)Cn1ncn2c(c1=O)cc(n2)c1ccc(cc1)Br
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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 C21H16BrN5O4 MW 482.29 g/mol Purity >90% as per NMR
InChI
InChI=1S/C21H16BrN5O4/c1-31-21(30)15-4-2-3-5-16(15)24-19(28)11-26-20(29)18-10-17(25-27(18)12-23-26)13-6-8-14(22)9-7-13/h2-10,12H,11H2,1H3,(H,24,28)InChIKey
BATVCUSMOFBHAH-UHFFFAOYSA-NSynonyms
COC(=O)C1=CC=CC=C1NC(=O)CN2C(=O)C3=CC(=NN3C=N2)C4=CC=C(C=C4)Br
InChI=1SC21H16BrN5O4c13121(30)15423516(15)2419(28)112620(29)181017(2527(18)122326)136814(22)9713h21012H11H21H3(H2428)
methyl2(((2(4bromophenyl)4oxopyrazolo(15d)(124)triazin5(4H)yl)acetyl)amino)benzoate
methyl2((2(2(4bromophenyl)4oxopyrazolo(15d)(124)triazin5yl)acetyl)amino)benzoate
MFCD20732233
ZINC000067197291
ZINC67197291
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