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Vitas-M small molecule compound

4-[bis(5-hydroxy-3-methyl-1H-pyrazol-4-yl)methyl]-2-methoxyphenyl 4-methylbenzenesulfonate

Catalog ID
STK063779
SMILES COc1cc(ccc1OS(=O)(=O)c1ccc(cc1)C)C(c1c(C)n[nH]c1O)c1c(C)n[nH]c1O

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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 C23H24N4O6S MW 484.53 g/mol Purity >90% as per NMR
InChI
InChI=1S/C23H24N4O6S/c1-12-5-8-16(9-6-12)34(30,31)33-17-10-7-15(11-18(17)32-4)21(19-13(2)24-26-22(19)28)20-14(3)25-27-23(20)29/h5-11,21H,1-4H3,(H2,24,26,28)(H2,25,27,29)
InChIKey
KEURXGXXXHDSIW-UHFFFAOYSA-N
Synonyms
432515-63-4
(4(BIS(3METHYL5OXIDANYLIDENE12DIHYDROPYRAZOL4YL)METHYL)2METHOXYPHENYL)4METHYLBENZENESULFONATE
(4(BIS(3METHYL5OXO12DIHYDROPYRAZOL4YL)METHYL)2METHOXYPHENYL)4METHYLBENZENESULFONATE
4(BIS(5HYDROXY3METHYL1HPYRAZOL4YL)METHYL)2METHOXYPHENYL4METHYLBENZENESULFONATE
4(BIS(5HYDROXY3METHYLPYRAZOL4YL)METHYL)2METHOXYPHENYL4METHYLBENZENESULFONATE
432515634
4METHYLBENZENESULFONICACID(4(BIS(3KETO5METHYL3PYRAZOLIN4YL)METHYL)2METHOXYPHENYL)ESTER
4METHYLBENZENESULFONICACID(4(BIS(3METHYL5OXO12DIHYDROPYRAZOL4YL)METHYL)2METHOXYPHENYL)ESTER
CC1=CC=C(C=C1)S(=O)(=O)OC2=C(C=C(C=C2)C(C3=C(NNC3=O)C)C4=C(NNC4=O)C)OC
COc1cc(ccc1OS(=O)(=O)c1ccc(cc1)C)C(c1c(C)n(nH)c1O)c1c(C)n(nH)c1O
InChI=1SC23H24N4O6Sc1125816(9612)34(3031)331710715(1118(17)324)21(1913(2)242622(19)28)2014(3)252723(20)29h51121H14H3(H2242628)(H2252729)
MFCD03044110
STK063779
TOLUENE4SULFONICACID4(BIS(5HYDROXY3METHYL1HPYRAZOL4YL)METHYL)2METHOXYPHENYLESTER
ZINC000008670776
ZINC08670776
ZINC8670776

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Available files

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