Vitas-M small molecule compound

2-{[5-(4-tert-butylphenyl)-4-ethyl-4H-1,2,4-triazol-3-yl]sulfanyl}-N'-[(1Z)-1-phenylethylidene]acetohydrazide

Catalog ID
STK109951
SMILES CCn1c(SCC(=O)N/N=C(\c2ccccc2)/C)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 C24H29N5OS MW 435.59 g/mol Purity >90% as per NMR
InChI
InChI=1S/C24H29N5OS/c1-6-29-22(19-12-14-20(15-13-19)24(3,4)5)27-28-23(29)31-16-21(30)26-25-17(2)18-10-8-7-9-11-18/h7-15H,6,16H2,1-5H3,(H,26,30)/b25-17-
InChIKey
WBRVWIIVGNFERR-UQQQWYQISA-N
Synonyms
497170-15-7
(Z)2((5(4(tertbutyl)phenyl)4ethyl4H124triazol3yl)thio)N(1phenylethylidene)acetohydrazide
2((5(4TERTBUTYLPHENYL)4ETHYL124TRIAZOL3YL)SULFANYL)N((Z)1PHENYLETHYLIDENEAMINO)ACETAMIDE
2((5(4TERTBUTYLPHENYL)4ETHYL4H124TRIAZOL3YL)SULFANYL)N((1Z)1PHENYLETHYLIDENE)ACETOHYDRAZIDE
497170157
CCN1C(=NN=C1SCC(=O)NN=C(C)C2=CC=CC=C2)C3=CC=C(C=C3)C(C)(C)C
CCn1c(SCC(=O)NN=C(c2ccccc2)C)nnc1c1ccc(cc1)C(C)(C)C
InChI=1SC24H29N5OSc162922(19121420(151319)24(34)5)272823(29)311621(30)262517(2)18108791118h715H616H215H3(H2630)b2517
MFCD03219116
N((1Z)2PHENYL1AZAPROP1ENYL)2(5(4(TERTBUTYL)PHENYL)4ETHYL(124TRIAZOL3YLTHIO))ACETAMIDE
ZINC000009380022
ZINC96624444

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Available files

Download the SDF, MOL, 3D structure and SDS documents from Vitas-M.