Vitas-M small molecule compound
4-{[(E)-{5-[(pentachlorophenoxy)methyl]furan-2-yl}methylidene]amino}-4H-1,2,4-triazole-3-thiol
Catalog ID
STL173416
SMILES Clc1c(OCc2ccc(o2)/C=N/n2cnnc2S)c(Cl)c(c(c1Cl)Cl)Cl
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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 C14H7Cl5N4O2S MW 472.56 g/mol Purity >90% as per NMR
InChI
InChI=1S/C14H7Cl5N4O2S/c15-8-9(16)11(18)13(12(19)10(8)17)24-4-7-2-1-6(25-7)3-21-23-5-20-22-14(23)26/h1-3,5H,4H2,(H,22,26)/b21-3+InChIKey
CCBHMPJQDAQCLX-WSVFEZOKSA-NSynonyms
866737-90-84(((E)(5((pentachlorophenoxy)methyl)furan2yl)methylidene)amino)4H124triazole3thiol
4((E)(5((23456pentachlorophenoxy)methyl)furan2yl)methylideneamino)1H124triazole5thione
866737908
C1=C(OC(=C1)C=NN2C=NNC2=S)COC3=C(C(=C(C(=C3Cl)Cl)Cl)Cl)Cl
Clc1c(OCc2ccc(o2)C=Nn2cnnc2S)c(Cl)c(c(c1Cl)Cl)Cl
InChI=1SC14H7Cl5N4O2Sc1589(16)11(18)13(12(19)10(8)17)2447216(257)321235202214(23)26h135H4H2(H2226)b213+
MFCD06195945
ZINC000036611389
ZINC96577105
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