Vitas-M small molecule compound
2-{[5-(4-tert-butylphenyl)-4-ethyl-4H-1,2,4-triazol-3-yl]sulfanyl}-N'-[(E)-(2-chloro-5-nitrophenyl)methylidene]acetohydrazide
Catalog ID
STK110541
SMILES CCn1c(SCC(=O)N/N=C/c2cc(ccc2Cl)[N+](=O)[O-])nnc1c1ccc(cc1)C(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 C23H25ClN6O3S MW 501.01 g/mol Purity >90% as per NMR
InChI
InChI=1S/C23H25ClN6O3S/c1-5-29-21(15-6-8-17(9-7-15)23(2,3)4)27-28-22(29)34-14-20(31)26-25-13-16-12-18(30(32)33)10-11-19(16)24/h6-13H,5,14H2,1-4H3,(H,26,31)/b25-13+InChIKey
MSEKYFUMJAHTQL-DHRITJCHSA-NSynonyms
489464-41-7(E)2((5(4(tertbutyl)phenyl)4ethyl4H124triazol3yl)thio)N(2chloro5nitrobenzylidene)acetohydrazide
2((5(4TERTBUTYLPHENYL)4ETHYL124TRIAZOL3YL)SULFANYL)N((E)(2CHLORO5NITROPHENYL)METHYLIDENEAMINO)ACETAMIDE
2((5(4TERTBUTYLPHENYL)4ETHYL4H124TRIAZOL3YL)SULFANYL)N((E)(2CHLORO5NITROPHENYL)METHYLIDENE)ACETOHYDRAZIDE
489464417
CCN1C(=NN=C1SCC(=O)NN=CC2=C(C=CC(=C2)(N+)(=O)(O))Cl)C3=CC=C(C=C3)C(C)(C)C
CCn1c(SCC(=O)NN=Cc2cc(ccc2Cl)(N+)(=O)(O))nnc1c1ccc(cc1)C(C)(C)C
InChI=1SC23H25ClN6O3Sc152921(156817(9715)23(23)4)272822(29)341420(31)262513161218(30(32)33)101119(16)24h613H514H214H3(H2631)b2513+
MFCD03219068
N((1E)2(2CHLORO5NITROPHENYL)1AZAVINYL)2(5(4(TERTBUTYL)PHENYL)4ETHYL(124TRIAZOL3YLTHIO))ACETAMIDE
ZINC000001817856
ZINC33344983
Check stock
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Check stock on Vitas-MAvailable files
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