Vitas-M small molecule compound
(3Z)-1-(4-ethoxyphenyl)-4,4,4-trifluoro-3-{2-[4-(3-nitrophenyl)-1,3-thiazol-2-yl]hydrazinylidene}butan-1-one
Catalog ID
STL438160
SMILES CCOc1ccc(cc1)C(=O)C/C(=N/Nc1scc(n1)c1cccc(c1)[N+](=O)[O-])/C(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 C21H17F3N4O4S MW 478.45 g/mol Purity >90% as per NMR
InChI
InChI=1S/C21H17F3N4O4S/c1-2-32-16-8-6-13(7-9-16)18(29)11-19(21(22,23)24)26-27-20-25-17(12-33-20)14-4-3-5-15(10-14)28(30)31/h3-10,12H,2,11H2,1H3,(H,25,27)/b26-19-InChIKey
KXTROVDIDCFUBT-XHPQRKPJSA-NSynonyms
(3Z)1(4ethoxyphenyl)444trifluoro3((4(3nitrophenyl)13thiazol2yl)hydrazinylidene)butan1one
(3Z)1(4ethoxyphenyl)444trifluoro3(2(4(3nitrophenyl)13thiazol2yl)hydrazinylidene)butan1one
CCOC1=CC=C(C=C1)C(=O)CC(=NNC2=NC(=CS2)C3=CC(=CC=C3)(N+)(=O)(O))C(F)(F)F
CCOc1ccc(cc1)C(=O)CC(=NNc1scc(n1)c1cccc(c1)(N+)(=O)(O))C(F)(F)F
InChI=1SC21H17F3N4O4Sc1232168613(7916)18(29)1119(21(2223)24)2627202517(123320)1443515(1014)28(30)31h31012H211H21H3(H2527)b2619
MFCD06241248
ZINC000016949143
ZINC34882074
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