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-methoxyphenyl acetate
Catalog ID
STL337392
SMILES COc1cc(/C=N/NC(=O)CSc2nnc(n2C2CCCCC2)c2ccc(cc2)C)ccc1OC(=O)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 C27H31N5O4S MW 521.64 g/mol Purity >90% as per NMR
InChI
InChI=1S/C27H31N5O4S/c1-18-9-12-21(13-10-18)26-30-31-27(32(26)22-7-5-4-6-8-22)37-17-25(34)29-28-16-20-11-14-23(36-19(2)33)24(15-20)35-3/h9-16,22H,4-8,17H2,1-3H3,(H,29,34)/b28-16+InChIKey
YUXNRQOEPGVMOA-LQKURTRISA-NSynonyms
612826-50-3(4((E)((2((4cyclohexyl5(4methylphenyl)124triazol3yl)sulfanyl)acetyl)hydrazinylidene)methyl)2methoxyphenyl)acetate
(E)4((2(2((4cyclohexyl5(ptolyl)4H124triazol3yl)thio)acetyl)hydrazono)methyl)2methoxyphenylacetate
4((1E)2(2(4CYCLOHEXYL5(4METHYLPHENYL)(124TRIAZOL3YLTHIO))ACETYLAMINO)2AZAVINYL)2METHOXYPHENYLACETATE
4((E)(2(((4cyclohexyl5(4methylphenyl)4H124triazol3yl)sulfanyl)acetyl)hydrazinylidene)methyl)2methoxyphenylacetate
612826503
CC1=CC=C(C=C1)C2=NN=C(N2C3CCCCC3)SCC(=O)NN=CC4=CC(=C(C=C4)OC(=O)C)OC
InChI=1SC27H31N5O4Sc11891221(131018)26303127(32(26)227546822)371725(34)29281620111423(3619(2)33)24(1520)353h91622H4817H213H3(H2934)b2816+
MFCD03222513
ZINC000009076171
ZINC101420518
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