Vitas-M small molecule compound
2-{[4-cyclohexyl-5-(4-methylphenyl)-4H-1,2,4-triazol-3-yl]sulfanyl}-N'-[(1E,2E)-3-(2-methoxyphenyl)prop-2-en-1-ylidene]acetohydrazide
Catalog ID
STL307987
SMILES COc1ccccc1/C=C/C=N/NC(=O)CSc1nnc(n1C1CCCCC1)c1ccc(cc1)C
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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 C27H31N5O2S MW 489.64 g/mol Purity >90% as per NMR
InChI
InChI=1S/C27H31N5O2S/c1-20-14-16-22(17-15-20)26-30-31-27(32(26)23-11-4-3-5-12-23)35-19-25(33)29-28-18-8-10-21-9-6-7-13-24(21)34-2/h6-10,13-18,23H,3-5,11-12,19H2,1-2H3,(H,29,33)/b10-8+,28-18+InChIKey
VDVODOZOOAFOND-LLTKLJFCSA-NSynonyms
497169-56-9(E)2((4cyclohexyl5(ptolyl)4H124triazol3yl)thio)N((E)3(2methoxyphenyl)allylidene)acetohydrazide
2((4cyclohexyl5(4methylphenyl)124triazol3yl)sulfanyl)N((E)((E)3(2methoxyphenyl)prop2enylidene)amino)acetamide
2((4cyclohexyl5(4methylphenyl)4H124triazol3yl)sulfanyl)N((1E2E)3(2methoxyphenyl)prop2en1ylidene)acetohydrazide
497169569
CC1=CC=C(C=C1)C2=NN=C(N2C3CCCCC3)SCC(=O)NN=CC=CC4=CC=CC=C4OC
InChI=1SC27H31N5O2Sc120141622(171520)26303127(32(26)23114351223)351925(33)292818810219671324(21)342h610131823H35111219H212H3(H2933)b108+2818+
MFCD03222482
N((1E3E)4(2METHOXYPHENYL)1AZABUTA13DIENYL)2(4CYCLOHEXYL5(4METHYLPHENYL)(124TRIAZOL3YLTHIO))ACETAMIDE
ZINC000009428147
ZINC33856399
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