Vitas-M small molecule compound
ethyl 5-{[4-(ethoxycarbonyl)-1-(4-fluorophenyl)-1H-1,2,3-triazol-5-yl]sulfanyl}-1,2,3-thiadiazole-4-carboxylate
Catalog ID
STL437680
SMILES CCOC(=O)c1nnn(c1Sc1snnc1C(=O)OCC)c1ccc(cc1)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 C16H14FN5O4S2 MW 423.45 g/mol Purity >90% as per NMR
InChI
InChI=1S/C16H14FN5O4S2/c1-3-25-14(23)11-13(22(20-18-11)10-7-5-9(17)6-8-10)27-16-12(19-21-28-16)15(24)26-4-2/h5-8H,3-4H2,1-2H3InChIKey
ZKZKGHBLAHSCIM-UHFFFAOYSA-NSynonyms
CCOC(=O)C1=C(N(N=N1)C2=CC=C(C=C2)F)SC3=C(N=NS3)C(=O)OCC
ethyl5((4(ethoxycarbonyl)1(4fluorophenyl)1H123triazol5yl)sulfanyl)123thiadiazole4carboxylate
ETHYL5((4(ETHOXYCARBONYL)1(4FLUOROPHENYL)1H123TRIAZOL5YL)THIO)123THIADIAZOLE4CARBOXYLATE
ETHYL5(5ETHOXYCARBONYL3(4FLUOROPHENYL)TRIAZOL4YL)SULFANYLTHIADIAZOLE4CARBOXYLATE
InChI=1SC16H14FN5O4S2c132514(23)1113(22(201811)10759(17)6810)271612(19212816)15(24)2642h58H34H212H3
MFCD06242605
ZINC000008694499
ZINC08694499
ZINC8694499
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