Vitas-M small molecule compound

2-{[4-ethyl-5-(4-nitrophenyl)-4H-1,2,4-triazol-3-yl]sulfanyl}-1-(4-phenylpiperazin-1-yl)ethanone

Catalog ID
STK147405
SMILES CCn1c(SCC(=O)N2CCN(CC2)c2ccccc2)nnc1c1ccc(cc1)[N+](=O)[O-]

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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 C22H24N6O3S MW 452.54 g/mol Purity >90% as per NMR
InChI
InChI=1S/C22H24N6O3S/c1-2-27-21(17-8-10-19(11-9-17)28(30)31)23-24-22(27)32-16-20(29)26-14-12-25(13-15-26)18-6-4-3-5-7-18/h3-11H,2,12-16H2,1H3
InChIKey
FGWGHOVFWCQTJR-UHFFFAOYSA-N
Synonyms

2((4ETHYL5(4NITROPHENYL)124TRIAZOL3YL)SULFANYL)1(4PHENYLPIPERAZIN1YL)ETHANONE
2((4ETHYL5(4NITROPHENYL)4H124TRIAZOL3YL)SULFANYL)1(4PHENYLPIPERAZIN1YL)ETHANONE
CCN1C(=NN=C1SCC(=O)N2CCN(CC2)C3=CC=CC=C3)C4=CC=C(C=C4)(N+)(=O)(O)
CCn1c(SCC(=O)N2CCN(CC2)c2ccccc2)nnc1c1ccc(cc1)(N+)(=O)(O)
InChI=1SC22H24N6O3Sc122721(1781019(11917)28(30)31)232422(27)321620(29)26141225(131526)186435718h311H21216H21H3
MFCD03877775
ZINC000006286589
ZINC06286589
ZINC6286589

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Available files

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