Vitas-M small molecule compound
2-{[5-(4-methoxyphenyl)-4-phenyl-4H-1,2,4-triazol-3-yl]sulfanyl}-N'-[(1E,2E)-3-(2-methoxyphenyl)prop-2-en-1-ylidene]acetohydrazide
Catalog ID
STK052955
SMILES COc1ccc(cc1)c1nnc(n1c1ccccc1)SCC(=O)N/N=C/C=C/c1ccccc1OC
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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 C27H25N5O3S MW 499.59 g/mol Purity >90% as per NMR
InChI
InChI=1S/C27H25N5O3S/c1-34-23-16-14-21(15-17-23)26-30-31-27(32(26)22-11-4-3-5-12-22)36-19-25(33)29-28-18-8-10-20-9-6-7-13-24(20)35-2/h3-18H,19H2,1-2H3,(H,29,33)/b10-8+,28-18+InChIKey
LQUOIGSDNLFFIK-LLTKLJFCSA-NSynonyms
314289-27-5(E)2((5(4methoxyphenyl)4phenyl4H124triazol3yl)thio)N((E)3(2methoxyphenyl)allylidene)acetohydrazide
2((5(4methoxyphenyl)4phenyl124triazol3yl)sulfanyl)N((E)((E)3(2methoxyphenyl)prop2enylidene)amino)acetamide
2((5(4METHOXYPHENYL)4PHENYL4H124TRIAZOL3YL)SULFANYL)N((1E2E)3(2METHOXYPHENYL)PROP2EN1YLIDENE)ACETOHYDRAZIDE
314289275
COC1=CC=C(C=C1)C2=NN=C(N2C3=CC=CC=C3)SCC(=O)NN=CC=CC4=CC=CC=C4OC
COc1ccc(cc1)c1nnc(n1c1ccccc1)SCC(=O)NN=CC=Cc1ccccc1OC
InChI=1SC27H25N5O3Sc13423161421(151723)26303127(32(26)22114351222)361925(33)292818810209671324(20)352h318H19H212H3(H2933)b108+2818+
MFCD02669845
STK052955
ZINC000008818297
ZINC19849253
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