Vitas-M small molecule compound
4-{[(1E,2E)-3-phenylprop-2-en-1-ylidene]amino}-5-(3,4,5-trimethoxyphenyl)-2,4-dihydro-3H-1,2,4-triazole-3-thione
Catalog ID
STK580296
SMILES COc1cc(cc(c1OC)OC)c1n[nH]c(=S)n1/N=C/C=C/c1ccccc1
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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 C20H20N4O3S MW 396.47 g/mol Purity >90% as per NMR
InChI
InChI=1S/C20H20N4O3S/c1-25-16-12-15(13-17(26-2)18(16)27-3)19-22-23-20(28)24(19)21-11-7-10-14-8-5-4-6-9-14/h4-13H,1-3H3,(H,23,28)/b10-7+,21-11+InChIKey
XOSMGTFEBFMIOA-WDECGGBJSA-NSynonyms
1233523-47-11233523471
4(((1E2E)3phenylprop2en1ylidene)amino)5(345trimethoxyphenyl)24dihydro3H124triazole3thione
4((1E3E)4PHENYL1AZABUTA13DIENYL)5(345TRIMETHOXYPHENYL)124TRIAZOLE3THIOL
4((E)((E)3phenylprop2enylidene)amino)3(345trimethoxyphenyl)1H124triazole5thione
COC1=CC(=CC(=C1OC)OC)C2=NNC(=S)N2N=CC=CC3=CC=CC=C3
COc1cc(cc(c1OC)OC)c1n(nH)c(=S)n1N=CC=Cc1ccccc1
InChI=1SC20H20N4O3Sc125161215(1317(262)18(16)273)19222320(28)24(19)2111710148546914h413H13H3(H2328)b107+2111+
MFCD07207698
ZINC000009011899
ZINC33914735
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