Vitas-M small molecule compound
4-{[(E)-{3-[(4-chloro-2-methylphenoxy)methyl]-4-methoxyphenyl}methylidene]amino}-5-(difluoromethyl)-4H-1,2,4-triazole-3-thiol
Catalog ID
STL173771
SMILES COc1ccc(cc1COc1ccc(cc1C)Cl)/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 C19H17ClF2N4O2S MW 438.89 g/mol Purity >90% as per NMR
InChI
InChI=1S/C19H17ClF2N4O2S/c1-11-7-14(20)4-6-15(11)28-10-13-8-12(3-5-16(13)27-2)9-23-26-18(17(21)22)24-25-19(26)29/h3-9,17H,10H2,1-2H3,(H,25,29)/b23-9+InChIKey
DHMBFJGNCIOIOA-NUGSKGIGSA-NSynonyms
828288-11-54(((E)(3((4chloro2methylphenoxy)methyl)4methoxyphenyl)methylidene)amino)5(difluoromethyl)4H124triazole3thiol
4((E)(3((4chloro2methylphenoxy)methyl)4methoxyphenyl)methylideneamino)3(difluoromethyl)1H124triazole5thione
828288115
CC1=C(C=CC(=C1)Cl)OCC2=C(C=CC(=C2)C=NN3C(=NNC3=S)C(F)F)OC
COc1ccc(cc1COc1ccc(cc1C)Cl)C=Nn1c(S)nnc1C(F)F
InChI=1SC19H17ClF2N4O2Sc111714(20)4615(11)281013812(3516(13)272)9232618(17(21)22)242519(26)29h3917H10H212H3(H2529)b239+
MFCD04047810
ZINC000002792692
ZINC2792691
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