Vitas-M small molecule compound
4-[bis(5-hydroxy-3-methyl-1H-pyrazol-4-yl)methyl]-2-methoxyphenyl benzenesulfonate
Catalog ID
STK071271
SMILES COc1cc(ccc1OS(=O)(=O)c1ccccc1)C(c1c(O)[nH]nc1C)c1c(O)[nH]nc1C
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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 C22H22N4O6S MW 470.51 g/mol Purity >90% as per NMR
InChI
InChI=1S/C22H22N4O6S/c1-12-18(21(27)25-23-12)20(19-13(2)24-26-22(19)28)14-9-10-16(17(11-14)31-3)32-33(29,30)15-7-5-4-6-8-15/h4-11,20H,1-3H3,(H2,23,25,27)(H2,24,26,28)InChIKey
SCHQSZIZNBCSEJ-UHFFFAOYSA-NSynonyms
900099-17-4(4(BIS(3METHYL5OXIDANYLIDENE12DIHYDROPYRAZOL4YL)METHYL)2METHOXYPHENYL)BENZENESULFONATE
(4(BIS(3METHYL5OXO12DIHYDROPYRAZOL4YL)METHYL)2METHOXYPHENYL)BENZENESULFONATE
4(BIS(5HYDROXY3METHYL1HPYRAZOL4YL)METHYL)2METHOXYPHENYLBENZENESULFONATE
900099174
BENZENESULFONICACID(4(BIS(3KETO5METHYL3PYRAZOLIN4YL)METHYL)2METHOXYPHENYL)ESTER
BENZENESULFONICACID(4(BIS(3METHYL5OXO12DIHYDROPYRAZOL4YL)METHYL)2METHOXYPHENYL)ESTER
CC1=C(C(=O)NN1)C(C2=CC(=C(C=C2)OS(=O)(=O)C3=CC=CC=C3)OC)C4=C(NNC4=O)C
COc1cc(ccc1OS(=O)(=O)c1ccccc1)C(c1c(O)(nH)nc1C)c1c(O)(nH)nc1C
InChI=1SC22H22N4O6Sc11218(21(27)252312)20(1913(2)242622(19)28)1491016(17(1114)313)3233(2930)157546815h41120H13H3(H2232527)(H2242628)
MFCD03293820
STK071271
ZINC000008671136
ZINC08671136
ZINC8671136
Check stock
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Check stock on Vitas-MAvailable files
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