Vitas-M small molecule compound
4'-chloro-1,1''-dimethyl-1'-[(4-nitrophenyl)sulfonyl]-1H,1'H,1''H-4,3':5',4''-terpyrazole
Catalog ID
STL414403
SMILES Cn1ncc(c1)c1c(Cl)c(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 C17H14ClN7O4S MW 447.86 g/mol Purity >90% as per NMR
InChI
InChI=1S/C17H14ClN7O4S/c1-22-9-11(7-19-22)16-15(18)17(12-8-20-23(2)10-12)24(21-16)30(28,29)14-5-3-13(4-6-14)25(26)27/h3-10H,1-2H3InChIKey
IGCNLSJSRAIELT-UHFFFAOYSA-NSynonyms
1006993-61-81006993618
4chloro11dimethyl1((4nitrophenyl)sulfonyl)1H1H1H4354terpyrazole
4chloro35bis(1methylpyrazol4yl)1(4nitrophenyl)sulfonylpyrazole
CN1C=C(C=N1)C2=C(C(=NN2S(=O)(=O)C3=CC=C(C=C3)(N+)(=O)(O))C4=CN(N=C4)C)Cl
Cn1ncc(c1)c1c(Cl)c(nn1S(=O)(=O)c1ccc(cc1)(N+)(=O)(O))c1cnn(c1)C
InChI=1SC17H14ClN7O4Sc122911(71922)1615(18)17(1282023(2)1012)24(2116)30(2829)145313(4614)25(26)27h310H12H3
MFCD08553101
ZINC000020636893
ZINC20636893
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