Vitas-M small molecule compound

1,1''-dimethyl-1'-[(4-nitrophenyl)sulfonyl]-1H,1'H,1''H-4,3':5',4''-terpyrazole

Catalog ID
STL412690
SMILES Cn1ncc(c1)c1cc(nn1S(=O)(=O)c1ccc(cc1)[N+](=O)[O-])c1cnn(c1)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 C17H15N7O4S MW 413.42 g/mol Purity >90% as per NMR
InChI
InChI=1S/C17H15N7O4S/c1-21-10-12(8-18-21)16-7-17(13-9-19-22(2)11-13)23(20-16)29(27,28)15-5-3-14(4-6-15)24(25)26/h3-11H,1-2H3
InChIKey
JTKASHADWCZCTD-UHFFFAOYSA-N
Synonyms
1006993-56-1
1006993561
11dimethyl1((4nitrophenyl)sulfonyl)1H1H1H4354terpyrazole
35bis(1methylpyrazol4yl)1(4nitrophenyl)sulfonylpyrazole
CN1C=C(C=N1)C2=CC(=NN2S(=O)(=O)C3=CC=C(C=C3)(N+)(=O)(O))C4=CN(N=C4)C
Cn1ncc(c1)c1cc(nn1S(=O)(=O)c1ccc(cc1)(N+)(=O)(O))c1cnn(c1)C
InChI=1SC17H15N7O4Sc1211012(81821)16717(1391922(2)1113)23(2016)29(2728)155314(4615)24(25)26h311H12H3
MFCD08553030
ZINC000017089516
ZINC17089516

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Available files

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