Vitas-M small molecule compound
4-{(E)-[2-({[4-cyclohexyl-5-(4-methylphenyl)-4H-1,2,4-triazol-3-yl]sulfanyl}acetyl)hydrazinylidene]methyl}-2,6-dimethoxyphenyl acetate
Catalog ID
STL036390
SMILES COc1cc(/C=N/NC(=O)CSc2nnc(n2C2CCCCC2)c2ccc(cc2)C)cc(c1OC(=O)C)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 C28H33N5O5S MW 551.67 g/mol Purity >90% as per NMR
InChI
InChI=1S/C28H33N5O5S/c1-18-10-12-21(13-11-18)27-31-32-28(33(27)22-8-6-5-7-9-22)39-17-25(35)30-29-16-20-14-23(36-3)26(38-19(2)34)24(15-20)37-4/h10-16,22H,5-9,17H2,1-4H3,(H,30,35)/b29-16+InChIKey
QBKSSDBPMCUHGY-MUFRIFMGSA-NSynonyms
(4((E)((2((4CYCLOHEXYL5(4METHYLPHENYL)124TRIAZOL3YL)SULFANYL)ACETYL)HYDRAZINYLIDENE)METHYL)26DIMETHOXYPHENYL)ACETATE
(E)4((2(2((4cyclohexyl5(ptolyl)4H124triazol3yl)thio)acetyl)hydrazono)methyl)26dimethoxyphenylacetate
4((1E)2(2(4CYCLOHEXYL5(4METHYLPHENYL)(124TRIAZOL3YLTHIO))ACETYLAMINO)2AZAVINYL)26DIMETHOXYPHENYLACETATE
4((E)(2(((4cyclohexyl5(4methylphenyl)4H124triazol3yl)sulfanyl)acetyl)hydrazinylidene)methyl)26dimethoxyphenylacetate
CC1=CC=C(C=C1)C2=NN=C(N2C3CCCCC3)SCC(=O)NN=CC4=CC(=C(C(=C4)OC)OC(=O)C)OC
InChI=1SC28H33N5O5Sc118101221(131118)27313228(33(27)228657922)391725(35)302916201423(363)26(3819(2)34)24(1520)374h101622H5917H214H3(H3035)b2916+
MFCD03222447
ZINC000100852698
ZINC102947783
Check stock
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Check stock on Vitas-MAvailable files
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