Vitas-M small molecule compound

2-[(4,5-diphenyl-4H-1,2,4-triazol-3-yl)sulfanyl]-N'-[(1E,2E)-2-methyl-3-phenylprop-2-en-1-ylidene]acetohydrazide

Catalog ID
STK042712
SMILES O=C(CSc1nnc(n1c1ccccc1)c1ccccc1)N/N=C/C(=C/c1ccccc1)/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 C26H23N5OS MW 453.57 g/mol Purity >90% as per NMR
InChI
InChI=1S/C26H23N5OS/c1-20(17-21-11-5-2-6-12-21)18-27-28-24(32)19-33-26-30-29-25(22-13-7-3-8-14-22)31(26)23-15-9-4-10-16-23/h2-18H,19H2,1H3,(H,28,32)/b20-17+,27-18+
InChIKey
DXYRRPFOBBRUKD-RSYXTFCQSA-N
Synonyms
306756-38-7
(E)2((45diphenyl4H124triazol3yl)thio)N((E)2methyl3phenylallylidene)acetohydrazide
2((45DIPHENYL124TRIAZOL3YL)SULFANYL)N((E)((E)2METHYL3PHENYLPROP2ENYLIDENE)AMINO)ACETAMIDE
2((45DIPHENYL4H124TRIAZOL3YL)SULFANYL)N((1E2E)2METHYL3PHENYLPROP2EN1YLIDENE)ACETOHYDRAZIDE
306756387
CC(=CC1=CC=CC=C1)C=NNC(=O)CSC2=NN=C(N2C3=CC=CC=C3)C4=CC=CC=C4
InChI=1SC26H23N5OSc120(1721115261221)18272824(32)193326302925(22137381422)31(26)231594101623h218H19H21H3(H2832)b2017+2718+
MFCD01841554
N((1E3E)3METHYL4PHENYL1AZABUTA13DIENYL)2(45DIPHENYL(124TRIAZOL3YLTHIO))ACETAMIDE
O=C(CSc1nnc(n1c1ccccc1)c1ccccc1)NN=CC(=Cc1ccccc1)C
STK042712
ZINC000008837913
ZINC33407362

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Available files

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