Vitas-M small molecule compound
4-{[(E)-{3-chloro-4-[(2-chlorobenzyl)oxy]-5-methoxyphenyl}methylidene]amino}-5-phenyl-4H-1,2,4-triazole-3-thiol
Catalog ID
STL369463
SMILES COc1cc(/C=N/n2c(S)nnc2c2ccccc2)cc(c1OCc1ccccc1Cl)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 C23H18Cl2N4O2S MW 485.39 g/mol Purity >90% as per NMR
InChI
InChI=1S/C23H18Cl2N4O2S/c1-30-20-12-15(11-19(25)21(20)31-14-17-9-5-6-10-18(17)24)13-26-29-22(27-28-23(29)32)16-7-3-2-4-8-16/h2-13H,14H2,1H3,(H,28,32)/b26-13+InChIKey
OHDILWIVRRDDSM-LGJNPRDNSA-NSynonyms
4(((E)(3chloro4((2chlorobenzyl)oxy)5methoxyphenyl)methylidene)amino)5phenyl4H124triazole3thiol
4((E)(3chloro4((2chlorophenyl)methoxy)5methoxyphenyl)methylideneamino)3phenyl1H124triazole5thione
COC1=C(C(=CC(=C1)C=NN2C(=NNC2=S)C3=CC=CC=C3)Cl)OCC4=CC=CC=C4Cl
COc1cc(C=Nn2c(S)nnc2c2ccccc2)cc(c1OCc1ccccc1Cl)Cl
InChI=1SC23H18Cl2N4O2Sc130201215(1119(25)21(20)3114179561018(17)24)13262922(272823(29)32)167324816h213H14H21H3(H2832)b2613+
MFCD04084756
ZINC000009296051
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