Vitas-M small molecule compound
N-(4-bromo-3-methylphenyl)-4-(5-oxo-4-propyl-4,5-dihydrothieno[2,3-e][1,2,4]triazolo[4,3-a]pyrimidin-1-yl)butanamide
Catalog ID
STL145419
SMILES CCCn1c2nnc(n2c2c(c1=O)scc2)CCCC(=O)Nc1ccc(c(c1)C)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 C21H22BrN5O2S MW 488.41 g/mol Purity >90% as per NMR
InChI
InChI=1S/C21H22BrN5O2S/c1-3-10-26-20(29)19-16(9-11-30-19)27-17(24-25-21(26)27)5-4-6-18(28)23-14-7-8-15(22)13(2)12-14/h7-9,11-12H,3-6,10H2,1-2H3,(H,23,28)InChIKey
ZYVWFOBGYDNBIR-UHFFFAOYSA-NSynonyms
892777-08-1892777081
CCCN1C(=O)C2=C(C=CS2)N3C1=NN=C3CCCC(=O)NC4=CC(=C(C=C4)Br)C
InChI=1SC21H22BrN5O2Sc13102620(29)1916(9113019)2717(242521(26)27)54618(28)23147815(22)13(2)1214h791112H3610H212H3(H2328)
MFCD07655240
N(4bromo3methylphenyl)4(5oxo4propyl45dihydrothieno(23e)(124)triazolo(43a)pyrimidin1yl)butanamide
ZINC000010272409
ZINC10272409
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