Vitas-M small molecule compound
(2Z)-N-(3-ethyl-1H-1,2,4-triazol-5-yl)-3-[(3-ethyl-1H-1,2,4-triazol-5-yl)amino]-4,4,4-trifluorobut-2-enamide
Catalog ID
STK399373
SMILES CCc1n[nH]c(n1)NC(=O)/C=C(/C(F)(F)F)\Nc1[nH]nc(n1)CC
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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 C12H15F3N8O MW 344.30 g/mol Purity >90% as per NMR
InChI
InChI=1S/C12H15F3N8O/c1-3-7-17-10(22-20-7)16-6(12(13,14)15)5-9(24)19-11-18-8(4-2)21-23-11/h5H,3-4H2,1-2H3,(H2,16,17,20,22)(H2,18,19,21,23,24)/b6-5-InChIKey
HLEBEGVJNOJUTC-WAYWQWQTSA-NSynonyms
(2Z)N(3ethyl1H124triazol5yl)3((3ethyl1H124triazol5yl)amino)444trifluorobut2enamide
(E)N(3ethyl1H124triazol5yl)3((3ethyl1H124triazol5yl)amino)444trifluorobut2enamide
(Z)N(5ethyl1H124triazol3yl)3((5ethyl1H124triazol3yl)amino)444trifluorobut2enamide
CCC1=NC(=NN1)NC(=CC(=O)NC2=NNC(=N2)CC)C(F)(F)F
CCc1n(nH)c(n1)NC(=O)C=C(C(F)(F)F)Nc1(nH)nc(n1)CC
InChI=1SC12H15F3N8Oc1371710(22207)166(12(1314)15)59(24)1911188(42)212311h5H34H212H3(H216172022)(H21819212324)b65
MFCD11082668
ZINC000101444136
ZINC101444136
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