Vitas-M small molecule compound
4-{[(E)-(2-methoxynaphthalen-1-yl)methylidene]amino}-5-(3,4,5-trimethoxyphenyl)-2,4-dihydro-3H-1,2,4-triazole-3-thione
Catalog ID
STK597519
SMILES COc1cc(cc(c1OC)OC)c1n[nH]c(=S)n1/N=C/c1c(OC)ccc2c1cccc2
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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 C23H22N4O4S MW 450.52 g/mol Purity >90% as per NMR
InChI
InChI=1S/C23H22N4O4S/c1-28-18-10-9-14-7-5-6-8-16(14)17(18)13-24-27-22(25-26-23(27)32)15-11-19(29-2)21(31-4)20(12-15)30-3/h5-13H,1-4H3,(H,26,32)/b24-13+InChIKey
XGVFNJQAPQLNSE-ZMOGYAJESA-NSynonyms
489415-95-44(((E)(2methoxynaphthalen1yl)methylidene)amino)5(345trimethoxyphenyl)24dihydro3H124triazole3thione
4((1E)2(2METHOXYNAPHTHYL)1AZAVINYL)5(345TRIMETHOXYPHENYL)124TRIAZOLE3THIOL
4((E)(2methoxynaphthalen1yl)methylideneamino)3(345trimethoxyphenyl)1H124triazole5thione
489415954
COC1=C(C2=CC=CC=C2C=C1)C=NN3C(=NNC3=S)C4=CC(=C(C(=C4)OC)OC)OC
COc1cc(cc(c1OC)OC)c1n(nH)c(=S)n1N=Cc1c(OC)ccc2c1cccc2
InChI=1SC23H22N4O4Sc1281810914756816(14)17(18)13242722(252623(27)32)151119(292)21(314)20(1215)303h513H14H3(H2632)b2413+
MFCD07203858
ZINC000009087438
ZINC33341785
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