Vitas-M small molecule compound
4-{[(E)-(4-ethoxy-3-methoxyphenyl)methylidene]amino}-5-(3,4,5-trimethoxyphenyl)-2,4-dihydro-3H-1,2,4-triazole-3-thione
Catalog ID
STK588620
SMILES CCOc1ccc(cc1OC)/C=N/n1c(=S)[nH]nc1c1cc(OC)c(c(c1)OC)OC
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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 C21H24N4O5S MW 444.51 g/mol Purity >90% as per NMR
InChI
InChI=1S/C21H24N4O5S/c1-6-30-15-8-7-13(9-16(15)26-2)12-22-25-20(23-24-21(25)31)14-10-17(27-3)19(29-5)18(11-14)28-4/h7-12H,6H2,1-5H3,(H,24,31)/b22-12+InChIKey
VOPXFZXTGGSSHN-WSDLNYQXSA-NSynonyms
488732-88-34(((E)(4ethoxy3methoxyphenyl)methylidene)amino)5(345trimethoxyphenyl)24dihydro3H124triazole3thione
4((E)(4ETHOXY3METHOXYPHENYL)METHYLIDENEAMINO)3(345TRIMETHOXYPHENYL)1H124TRIAZOLE5THIONE
488732883
CCOC1=C(C=C(C=C1)C=NN2C(=NNC2=S)C3=CC(=C(C(=C3)OC)OC)OC)OC
CCOc1ccc(cc1OC)C=Nn1c(=S)(nH)nc1c1cc(OC)c(c(c1)OC)OC
InChI=1SC21H24N4O5Sc1630158713(916(15)262)12222520(232421(25)31)141017(273)19(295)18(1114)284h712H6H215H3(H2431)b2212+
MFCD07211251
ZINC000017016445
ZINC2339191
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