Vitas-M small molecule compound
3-[bis(5-hydroxy-3-methyl-1H-pyrazol-4-yl)methyl]phenyl 4-methylbenzenesulfonate
Catalog ID
STK033572
SMILES Cc1ccc(cc1)S(=O)(=O)Oc1cccc(c1)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 C22H22N4O5S MW 454.51 g/mol Purity >90% as per NMR
InChI
InChI=1S/C22H22N4O5S/c1-12-7-9-17(10-8-12)32(29,30)31-16-6-4-5-15(11-16)20(18-13(2)23-25-21(18)27)19-14(3)24-26-22(19)28/h4-11,20H,1-3H3,(H2,23,25,27)(H2,24,26,28)InChIKey
XOCJZYWTWWWCRD-UHFFFAOYSA-NSynonyms
433953-99-2(3(BIS(3METHYL5OXO12DIHYDROPYRAZOL4YL)METHYL)PHENYL)4METHYLBENZENESULFONATE
3(BIS(5HYDROXY3METHYL1HPYRAZOL4YL)METHYL)PHENYL4METHYLBENZENESULFONATE
433953992
CC1=CC=C(C=C1)S(=O)(=O)OC2=CC=CC(=C2)C(C3=C(NNC3=O)C)C4=C(NNC4=O)C
Cc1ccc(cc1)S(=O)(=O)Oc1cccc(c1)C(c1c(C)n(nH)c1O)c1c(C)n(nH)c1O
InChI=1SC22H22N4O5Sc1127917(10812)32(2930)311664515(1116)20(1813(2)232521(18)27)1914(3)242622(19)28h41120H13H3(H2232527)(H2242628)
MFCD03292397
STK033572
ZINC000020058151
ZINC20058151
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