Vitas-M small molecule compound
butyl 5-[(2,2,3,3,4,4,4-heptafluorobutanoyl)amino]-1H-1,2,4-triazole-3-carboxylate
Catalog ID
STK366651
SMILES CCCCOC(=O)c1n[nH]c(n1)NC(=O)C(C(C(F)(F)F)(F)F)(F)F
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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 C11H11F7N4O3 MW 380.22 g/mol Purity >90% as per NMR
InChI
InChI=1S/C11H11F7N4O3/c1-2-3-4-25-6(23)5-19-8(22-21-5)20-7(24)9(12,13)10(14,15)11(16,17)18/h2-4H2,1H3,(H2,19,20,21,22,24)InChIKey
PHJCWXNPEFCFDN-UHFFFAOYSA-NSynonyms
butyl3(2233444heptafluorobutanoylamino)1H124triazole5carboxylate
butyl5((2233444heptafluorobutanoyl)amino)1H124triazole3carboxylate
CCCCOC(=O)C1=NC(=NN1)NC(=O)C(C(C(F)(F)F)(F)F)(F)F
CCCCOC(=O)c1n(nH)c(n1)NC(=O)C(C(C(F)(F)F)(F)F)(F)F
InChI=1SC11H11F7N4O3c1234256(23)5198(22215)207(24)9(1213)10(1415)11(1617)18h24H21H3(H21920212224)
MFCD00378272
ZINC000006273700
ZINC6273700
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