Vitas-M small molecule compound
5-(3-methyl-5-phenyl-1H-pyrazol-2-ium-1-yl)-2-phenoxybenzenesulfonate
Catalog ID
STL357422
SMILES Cc1[nH+]n(c(c1)c1ccccc1)c1ccc(c(c1)S(=O)(=O)[O-])Oc1ccccc1
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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 C22H18N2O4S MW 406.46 g/mol Purity >90% as per NMR
InChI
InChI=1S/C22H18N2O4S/c1-16-14-20(17-8-4-2-5-9-17)24(23-16)18-12-13-21(22(15-18)29(25,26)27)28-19-10-6-3-7-11-19/h2-15H,1H3,(H,25,26,27)InChIKey
IXQZJUKDDPCEGT-UHFFFAOYSA-NSynonyms
311813-68-0311813680
5(3METHYL5PHENYL1HPYRAZOL1YL)2PHENOXYBENZENESULFONICACID
5(3methyl5phenyl1Hpyrazol2ium1yl)2phenoxybenzenesulfonate
5(3METHYL5PHENYLPYRAZOL1YL)2PHENOXYBENZENESULFONICACID
5(5METHYL3PHENYL1HPYRAZOL2IUM2YL)2PHENOXYBENZENESULFONATE
Cc1(nH+)n(c(c1)c1ccccc1)c1ccc(c(c1)S(=O)(=O)(O))Oc1ccccc1
CC1=(NH+)N(C(=C1)c1ccccc1)c1ccc(c(c1)S(=O)(=O)(O))Oc1ccccc1
CC1=NN(C(=C1)C2=CC=CC=C2)C3=CC(=C(C=C3)OC4=CC=CC=C4)S(=O)(=O)O
InChI=1SC22H18N2O4Sc1161420(178425917)24(2316)18121321(22(1518)29(2526)27)2819106371119h215H1H3(H252627)
MFCD00339736
ZINC000001834472
ZINC1834472
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