Vitas-M small molecule compound
2-{[5-(4-tert-butylphenyl)-4-ethyl-4H-1,2,4-triazol-3-yl]sulfanyl}-N'-[(E)-(2,5-dimethoxyphenyl)methylidene]acetohydrazide
Catalog ID
STK109354
SMILES COc1ccc(cc1/C=N/NC(=O)CSc1nnc(n1CC)c1ccc(cc1)C(C)(C)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 C25H31N5O3S MW 481.62 g/mol Purity >90% as per NMR
InChI
InChI=1S/C25H31N5O3S/c1-7-30-23(17-8-10-19(11-9-17)25(2,3)4)28-29-24(30)34-16-22(31)27-26-15-18-14-20(32-5)12-13-21(18)33-6/h8-15H,7,16H2,1-6H3,(H,27,31)/b26-15+InChIKey
GEGRJSZOUFWGPY-CVKSISIWSA-NSynonyms
496799-26-9(E)2((5(4(tertbutyl)phenyl)4ethyl4H124triazol3yl)thio)N(25dimethoxybenzylidene)acetohydrazide
2((5(4TERTBUTYLPHENYL)4ETHYL124TRIAZOL3YL)SULFANYL)N((E)(25DIMETHOXYPHENYL)METHYLIDENEAMINO)ACETAMIDE
2((5(4TERTBUTYLPHENYL)4ETHYL4H124TRIAZOL3YL)SULFANYL)N((E)(25DIMETHOXYPHENYL)METHYLIDENE)ACETOHYDRAZIDE
496799269
CCN1C(=NN=C1SCC(=O)NN=CC2=C(C=CC(=C2)OC)OC)C3=CC=C(C=C3)C(C)(C)C
COc1ccc(cc1C=NNC(=O)CSc1nnc(n1CC)c1ccc(cc1)C(C)(C)C)OC
InChI=1SC25H31N5O3Sc173023(1781019(11917)25(23)4)282924(30)341622(31)272615181420(325)121321(18)336h815H716H216H3(H2731)b2615+
MFCD03219166
N((1E)2(25DIMETHOXYPHENYL)1AZAVINYL)2(5(4(TERTBUTYL)PHENYL)4ETHYL(124TRIAZOL3YLTHIO))ACETAMIDE
ZINC000001305157
ZINC33334670
Check stock
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Check stock on Vitas-MAvailable files
Download the SDF, MOL, 3D structure and SDS documents from Vitas-M.