Vitas-M small molecule compound
2-{[4-cyclohexyl-5-(4-methylphenyl)-4H-1,2,4-triazol-3-yl]sulfanyl}-N'-{(E)-[4-(propan-2-yl)phenyl]methylidene}acetohydrazide
Catalog ID
STL337788
SMILES O=C(CSc1nnc(n1C1CCCCC1)c1ccc(cc1)C)N/N=C/c1ccc(cc1)C(C)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 C27H33N5OS MW 475.66 g/mol Purity >90% as per NMR
InChI
InChI=1S/C27H33N5OS/c1-19(2)22-15-11-21(12-16-22)17-28-29-25(33)18-34-27-31-30-26(23-13-9-20(3)10-14-23)32(27)24-7-5-4-6-8-24/h9-17,19,24H,4-8,18H2,1-3H3,(H,29,33)/b28-17+InChIKey
CQRCHUCNUAQAKI-OGLMXYFKSA-NSynonyms
612826-36-5(E)2((4cyclohexyl5(ptolyl)4H124triazol3yl)thio)N(4isopropylbenzylidene)acetohydrazide
2((4cyclohexyl5(4methylphenyl)124triazol3yl)sulfanyl)N((E)(4propan2ylphenyl)methylideneamino)acetamide
2((4cyclohexyl5(4methylphenyl)4H124triazol3yl)sulfanyl)N((E)(4(propan2yl)phenyl)methylidene)acetohydrazide
612826365
CC1=CC=C(C=C1)C2=NN=C(N2C3CCCCC3)SCC(=O)NN=CC4=CC=C(C=C4)C(C)C
InChI=1SC27H33N5OSc119(2)22151121(121622)17282925(33)183427313026(2313920(3)101423)32(27)247546824h9171924H4818H213H3(H2933)b2817+
MFCD03222479
N((1E)2(4(METHYLETHYL)PHENYL)1AZAVINYL)2(4CYCLOHEXYL5(4METHYLPHENYL)(124TRIAZOL3YLTHIO))ACETAMIDE
ZINC000009428314
ZINC101420527
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