Vitas-M small molecule compound

2-{[5-(4-tert-butylphenyl)-4-ethyl-4H-1,2,4-triazol-3-yl]sulfanyl}-N'-{(E)-[4-(diethylamino)phenyl]methylidene}acetohydrazide

Catalog ID
STK100754
SMILES CCN(c1ccc(cc1)/C=N/NC(=O)CSc1nnc(n1CC)c1ccc(cc1)C(C)(C)C)CC

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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 C27H36N6OS MW 492.69 g/mol Purity >90% as per NMR
InChI
InChI=1S/C27H36N6OS/c1-7-32(8-2)23-16-10-20(11-17-23)18-28-29-24(34)19-35-26-31-30-25(33(26)9-3)21-12-14-22(15-13-21)27(4,5)6/h10-18H,7-9,19H2,1-6H3,(H,29,34)/b28-18+
InChIKey
DBXCBLKIFLBKOS-MTDXEUNCSA-N
Synonyms
488121-97-7
(E)2((5(4(tertbutyl)phenyl)4ethyl4H124triazol3yl)thio)N(4(diethylamino)benzylidene)acetohydrazide
2((5(4TERTBUTYLPHENYL)4ETHYL124TRIAZOL3YL)SULFANYL)N((E)(4(DIETHYLAMINO)PHENYL)METHYLIDENEAMINO)ACETAMIDE
2((5(4TERTBUTYLPHENYL)4ETHYL4H124TRIAZOL3YL)SULFANYL)N((E)(4(DIETHYLAMINO)PHENYL)METHYLIDENE)ACETOHYDRAZIDE
488121977
CCN(c1ccc(cc1)C=NNC(=O)CSc1nnc(n1CC)c1ccc(cc1)C(C)(C)C)CC
CCN1C(=NN=C1SCC(=O)NN=CC2=CC=C(C=C2)N(CC)CC)C3=CC=C(C=C3)C(C)(C)C
InChI=1SC27H36N6OSc1732(82)23161020(111723)18282924(34)193526313025(33(26)93)21121422(151321)27(45)6h1018H7919H216H3(H2934)b2818+
MFCD03219126
N((1E)2(4(DIETHYLAMINO)PHENYL)1AZAVINYL)2(5(4(TERTBUTYL)PHENYL)4ETHYL(124TRIAZOL3YLTHIO))ACETAMIDE
ZINC000001762583
ZINC33343033

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Available files

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