Vitas-M small molecule compound

2-{[4,5-bis(4-methylphenyl)-4H-1,2,4-triazol-3-yl]sulfanyl}-N'-[(E)-(4-methoxyphenyl)methylidene]acetohydrazide

Catalog ID
STK038375
SMILES COc1ccc(cc1)/C=N/NC(=O)CSc1nnc(n1c1ccc(cc1)C)c1ccc(cc1)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 C26H25N5O2S MW 471.58 g/mol Purity >90% as per NMR
InChI
InChI=1S/C26H25N5O2S/c1-18-4-10-21(11-5-18)25-29-30-26(31(25)22-12-6-19(2)7-13-22)34-17-24(32)28-27-16-20-8-14-23(33-3)15-9-20/h4-16H,17H2,1-3H3,(H,28,32)/b27-16+
InChIKey
KLCYYAOAEGOPQN-JVWAILMASA-N
Synonyms
497865-29-9
(E)2((45diptolyl4H124triazol3yl)thio)N(4methoxybenzylidene)acetohydrazide
2((45BIS(4METHYLPHENYL)124TRIAZOL3YL)SULFANYL)N((E)(4METHOXYPHENYL)METHYLIDENEAMINO)ACETAMIDE
2((45BIS(4METHYLPHENYL)4H124TRIAZOL3YL)SULFANYL)N((E)(4METHOXYPHENYL)METHYLIDENE)ACETOHYDRAZIDE
497865299
CC1=CC=C(C=C1)C2=NN=C(N2C3=CC=C(C=C3)C)SCC(=O)NN=CC4=CC=C(C=C4)OC
COc1ccc(cc1)C=NNC(=O)CSc1nnc(n1c1ccc(cc1)C)c1ccc(cc1)C
InChI=1SC26H25N5O2Sc11841021(11518)25293026(31(25)2212619(2)71322)341724(32)2827162081423(333)15920h416H17H213H3(H2832)b2716+
MFCD03220916
N((1E)2(4METHOXYPHENYL)1AZAVINYL)2(45BIS(4METHYLPHENYL)(124TRIAZOL3YLTHIO))ACETAMIDE
STK038375
ZINC000002345824
ZINC33362046

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Available files

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