Vitas-M small molecule compound
4-{[(E)-{5-[(4-chloro-3,5-dimethylphenoxy)methyl]furan-2-yl}methylidene]amino}-5-(difluoromethyl)-4H-1,2,4-triazole-3-thiol
Catalog ID
STL173219
SMILES Cc1cc(OCc2ccc(o2)/C=N/n2c(S)nnc2C(F)F)cc(c1Cl)C
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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 C17H15ClF2N4O2S MW 412.85 g/mol Purity >90% as per NMR
InChI
InChI=1S/C17H15ClF2N4O2S/c1-9-5-13(6-10(2)14(9)18)25-8-12-4-3-11(26-12)7-21-24-16(15(19)20)22-23-17(24)27/h3-7,15H,8H2,1-2H3,(H,23,27)/b21-7+InChIKey
ITQJIPLRLYWCAC-QPSGOUHRSA-NSynonyms
866737-32-84(((E)(5((4chloro35dimethylphenoxy)methyl)furan2yl)methylidene)amino)5(difluoromethyl)4H124triazole3thiol
4((E)(5((4chloro35dimethylphenoxy)methyl)furan2yl)methylideneamino)3(difluoromethyl)1H124triazole5thione
866737328
CC1=CC(=CC(=C1Cl)C)OCC2=CC=C(O2)C=NN3C(=NNC3=S)C(F)F
Cc1cc(OCc2ccc(o2)C=Nn2c(S)nnc2C(F)F)cc(c1Cl)C
InChI=1SC17H15ClF2N4O2Sc19513(610(2)14(9)18)258124311(2612)7212416(15(19)20)222317(24)27h3715H8H212H3(H2327)b217+
MFCD06195924
ZINC000036611374
ZINC96569714
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