Vitas-M small molecule compound
ethyl 5-({4-(ethoxycarbonyl)-1-[3-(trifluoromethyl)phenyl]-1H-1,2,3-triazol-5-yl}sulfanyl)-1,2,3-thiadiazole-4-carboxylate
Catalog ID
STL437681
SMILES CCOC(=O)c1nnn(c1Sc1snnc1C(=O)OCC)c1cccc(c1)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 C17H14F3N5O4S2 MW 473.46 g/mol Purity >90% as per NMR
InChI
InChI=1S/C17H14F3N5O4S2/c1-3-28-14(26)11-13(30-16-12(22-24-31-16)15(27)29-4-2)25(23-21-11)10-7-5-6-9(8-10)17(18,19)20/h5-8H,3-4H2,1-2H3InChIKey
GECKVKWGGOQFKG-UHFFFAOYSA-NSynonyms
CCOC(=O)C1=C(N(N=N1)C2=CC=CC(=C2)C(F)(F)F)SC3=C(N=NS3)C(=O)OCC
ethyl5((4(ethoxycarbonyl)1(3(trifluoromethyl)phenyl)1H123triazol5yl)sulfanyl)123thiadiazole4carboxylate
ETHYL5((4(ETHOXYCARBONYL)1(3(TRIFLUOROMETHYL)PHENYL)1H123TRIAZOL5YL)THIO)123THIADIAZOLE4CARBOXYLATE
ETHYL5(5ETHOXYCARBONYL3(3(TRIFLUOROMETHYL)PHENYL)TRIAZOL4YL)SULFANYLTHIADIAZOLE4CARBOXYLATE
InChI=1SC17H14F3N5O4S2c132814(26)1113(301612(22243116)15(27)2942)25(232111)107569(810)17(1819)20h58H34H212H3
MFCD06242568
ZINC000008694500
ZINC8694500
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