Vitas-M small molecule compound

N'-[(1E,2Z)-2-chloro-3-phenylprop-2-en-1-ylidene]-2-{[4-(4-methylphenyl)-5-phenyl-4H-1,2,4-triazol-3-yl]sulfanyl}acetohydrazide

Catalog ID
STK791305
SMILES O=C(CSc1nnc(n1c1ccc(cc1)C)c1ccccc1)N/N=C/C(=C/c1ccccc1)/Cl

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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 C26H22ClN5OS MW 488.01 g/mol Purity >90% as per NMR
InChI
InChI=1S/C26H22ClN5OS/c1-19-12-14-23(15-13-19)32-25(21-10-6-3-7-11-21)30-31-26(32)34-18-24(33)29-28-17-22(27)16-20-8-4-2-5-9-20/h2-17H,18H2,1H3,(H,29,33)/b22-16-,28-17+
InChIKey
REDKXFWXKZQCFW-BSZFNXBBSA-N
Synonyms
314071-74-4
(E)N((Z)2chloro3phenylallylidene)2((5phenyl4(ptolyl)4H124triazol3yl)thio)acetohydrazide
314071744
CC1=CC=C(C=C1)N2C(=NN=C2SCC(=O)NN=CC(=CC3=CC=CC=C3)Cl)C4=CC=CC=C4
InChI=1SC26H22ClN5OSc119121423(151319)3225(21106371121)303126(32)341824(33)29281722(27)16208425920h217H18H21H3(H2933)b22162817+
MFCD01916115
N((1E2Z)2chloro3phenylprop2en1ylidene)2((4(4methylphenyl)5phenyl4H124triazol3yl)sulfanyl)acetohydrazide
N((3Z1E)3CHLORO4PHENYL1AZABUTA13DIENYL)2(4(4METHYLPHENYL)5PHENYL(124TRIAZOL3YLTHIO))ACETAMIDE
N((E)((Z)2CHLORO3PHENYLPROP2ENYLIDENE)AMINO)2((4(4METHYLPHENYL)5PHENYL124TRIAZOL3YL)SULFANYL)ACETAMIDE
O=C(CSc1nnc(n1c1ccc(cc1)C)c1ccccc1)NN=CC(=Cc1ccccc1)Cl
ZINC000001821611
ZINC33411691

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Available files

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