Vitas-M small molecule compound
5-(difluoromethyl)-4-{[(E)-{5-[(4-ethoxyphenoxy)methyl]furan-2-yl}methylidene]amino}-4H-1,2,4-triazole-3-thiol
Catalog ID
STL173786
SMILES CCOc1ccc(cc1)OCc1ccc(o1)/C=N/n1c(S)nnc1C(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 C17H16F2N4O3S MW 394.40 g/mol Purity >90% as per NMR
InChI
InChI=1S/C17H16F2N4O3S/c1-2-24-11-3-5-12(6-4-11)25-10-14-8-7-13(26-14)9-20-23-16(15(18)19)21-22-17(23)27/h3-9,15H,2,10H2,1H3,(H,22,27)/b20-9+InChIKey
UXXNCVCCSJMTOK-AWQFTUOYSA-NSynonyms
828281-75-03(difluoromethyl)4((E)(5((4ethoxyphenoxy)methyl)furan2yl)methylideneamino)1H124triazole5thione
5(difluoromethyl)4(((E)(5((4ethoxyphenoxy)methyl)furan2yl)methylidene)amino)4H124triazole3thiol
828281750
CCOC1=CC=C(C=C1)OCC2=CC=C(O2)C=NN3C(=NNC3=S)C(F)F
CCOc1ccc(cc1)OCc1ccc(o1)C=Nn1c(S)nnc1C(F)F
InChI=1SC17H16F2N4O3Sc1224113512(6411)2510148713(2614)9202316(15(18)19)212217(23)27h3915H210H21H3(H2227)b209+
MFCD04047847
ZINC000008324335
ZINC2791348
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