Vitas-M small molecule compound

2-[(4-methyl-5-{1-[(2-methylphenyl)amino]ethyl}-4H-1,2,4-triazol-3-yl)sulfanyl]-N'-[1-(4-nitrophenyl)ethylidene]acetohydrazide

Catalog ID
STK959765
SMILES O=C(CSc1nnc(n1C)C(Nc1ccccc1C)C)N/N=C(/c1ccc(cc1)[N+](=O)[O-])\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 C22H25N7O3S MW 467.55 g/mol Purity >90% as per NMR
InChI
InChI=1S/C22H25N7O3S/c1-14-7-5-6-8-19(14)23-16(3)21-26-27-22(28(21)4)33-13-20(30)25-24-15(2)17-9-11-18(12-10-17)29(31)32/h5-12,16,23H,13H2,1-4H3,(H,25,30)
InChIKey
QQTVIBUPDUKTCR-UHFFFAOYSA-N
Synonyms
514839-32-8
2((4methyl5(1((2methylphenyl)amino)ethyl)4H124triazol3yl)sulfanyl)N(1(4nitrophenyl)ethylidene)acetohydrazide
2((4METHYL5(1(2METHYLANILINO)ETHYL)124TRIAZOL3YL)SULFANYL)N(1(4NITROPHENYL)ETHYLIDENEAMINO)ACETAMIDE
514839328
CC1=CC=CC=C1NC(C)C2=NN=C(N2C)SCC(=O)NN=C(C)C3=CC=C(C=C3)(N+)(=O)(O)
InChI=1SC22H25N7O3Sc114756819(14)2316(3)21262722(28(21)4)331320(30)252415(2)1791118(121017)29(31)32h5121623H13H214H3(H2530)
MFCD03469955
O=C(CSc1nnc(n1C)C(Nc1ccccc1C)C)NN=C(c1ccc(cc1)(N+)(=O)(O))C
ZINC000245240614
ZINC000245240615

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Available files

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