Vitas-M small molecule compound
N-(4-bromo-2-methylphenyl)-2-[3-oxo-7-(phenylamino)[1,2,4]triazolo[4,3-a]pyrimidin-2(3H)-yl]acetamide
Catalog ID
STL080337
SMILES O=C(Cn1nc2n(c1=O)ccc(n2)Nc1ccccc1)Nc1ccc(cc1C)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 C20H17BrN6O2 MW 453.30 g/mol Purity >90% as per NMR
InChI
InChI=1S/C20H17BrN6O2/c1-13-11-14(21)7-8-16(13)23-18(28)12-27-20(29)26-10-9-17(24-19(26)25-27)22-15-5-3-2-4-6-15/h2-11H,12H2,1H3,(H,23,28)(H,22,24,25)InChIKey
ZZEZVSUPMBNNRH-UHFFFAOYSA-NSynonyms
2(7anilino3oxo(124)triazolo(43a)pyrimidin2yl)N(4bromo2methylphenyl)acetamide
CC1=C(C=CC(=C1)Br)NC(=O)CN2C(=O)N3C=CC(=NC3=N2)NC4=CC=CC=C4
InChI=1SC20H17BrN6O2c1131114(21)7816(13)2318(28)122720(29)2610917(2419(26)2527)22155324615h211H12H21H3(H2328)(H222425)
MFCD18201103
N(4bromo2methylphenyl)2(3oxo7(phenylamino)(124)triazolo(43a)pyrimidin2(3H)yl)acetamide
ZINC000057507502
ZINC57507502
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