Vitas-M small molecule compound
4-{[(E)-{5-[(4-chloro-3,5-dimethylphenoxy)methyl]furan-2-yl}methylidene]amino}-5-(thiophen-2-yl)-4H-1,2,4-triazole-3-thiol
Catalog ID
STL173279
SMILES Sc1nnc(n1/N=C/c1ccc(o1)COc1cc(C)c(c(c1)C)Cl)c1cccs1
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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 C20H17ClN4O2S2 MW 444.97 g/mol Purity >90% as per NMR
InChI
InChI=1S/C20H17ClN4O2S2/c1-12-8-16(9-13(2)18(12)21)26-11-15-6-5-14(27-15)10-22-25-19(23-24-20(25)28)17-4-3-7-29-17/h3-10H,11H2,1-2H3,(H,24,28)/b22-10+InChIKey
PECPKIQQTAFLBF-LSHDLFTRSA-NSynonyms
866742-04-34(((E)(5((4chloro35dimethylphenoxy)methyl)furan2yl)methylidene)amino)5(thiophen2yl)4H124triazole3thiol
4((E)(5((4chloro35dimethylphenoxy)methyl)furan2yl)methylideneamino)3thiophen2yl1H124triazole5thione
866742043
CC1=CC(=CC(=C1Cl)C)OCC2=CC=C(O2)C=NN3C(=NNC3=S)C4=CC=CS4
InChI=1SC20H17ClN4O2S2c112816(913(2)18(12)21)2611156514(2715)10222519(232420(25)28)174372917h310H11H212H3(H2428)b2210+
MFCD06196042
Sc1nnc(n1N=Cc1ccc(o1)COc1cc(C)c(c(c1)C)Cl)c1cccs1
ZINC000036611462
ZINC96576959
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