Vitas-M small molecule compound
4-{[(E)-(4-ethoxyphenyl)methylidene]amino}-5-(3,4,5-trimethoxyphenyl)-2,4-dihydro-3H-1,2,4-triazole-3-thione
Catalog ID
STK580690
SMILES CCOc1ccc(cc1)/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 C20H22N4O4S MW 414.49 g/mol Purity >90% as per NMR
InChI
InChI=1S/C20H22N4O4S/c1-5-28-15-8-6-13(7-9-15)12-21-24-19(22-23-20(24)29)14-10-16(25-2)18(27-4)17(11-14)26-3/h6-12H,5H2,1-4H3,(H,23,29)/b21-12+InChIKey
VJMFBEIBOCTEGU-CIAFOILYSA-NSynonyms
497230-59-84(((E)(4ethoxyphenyl)methylidene)amino)5(345trimethoxyphenyl)24dihydro3H124triazole3thione
4((1E)2(4ETHOXYPHENYL)1AZAVINYL)5(345TRIMETHOXYPHENYL)124TRIAZOLE3THIOL
4((E)(4ethoxyphenyl)methylideneamino)3(345trimethoxyphenyl)1H124triazole5thione
497230598
CCOC1=CC=C(C=C1)C=NN2C(=NNC2=S)C3=CC(=C(C(=C3)OC)OC)OC
CCOc1ccc(cc1)C=Nn1c(=S)(nH)nc1c1cc(OC)c(c(c1)OC)OC
InChI=1SC20H22N4O4Sc1528158613(7915)12212419(222320(24)29)141016(252)18(274)17(1114)263h612H5H214H3(H2329)b2112+
MFCD07206034
ZINC000005959245
ZINC33341753
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