Vitas-M small molecule compound
4-[bis(5-hydroxy-3-methyl-1H-pyrazol-4-yl)methyl]phenyl 3-methylbenzoate
Catalog ID
STK112583
SMILES Cc1cccc(c1)C(=O)Oc1ccc(cc1)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 C23H22N4O4 MW 418.45 g/mol Purity >90% as per NMR
InChI
InChI=1S/C23H22N4O4/c1-12-5-4-6-16(11-12)23(30)31-17-9-7-15(8-10-17)20(18-13(2)24-26-21(18)28)19-14(3)25-27-22(19)29/h4-11,20H,1-3H3,(H2,24,26,28)(H2,25,27,29)InChIKey
DNMMMTXXIBSWFC-UHFFFAOYSA-NSynonyms
432538-51-7(4(BIS(3METHYL5OXO12DIHYDROPYRAZOL4YL)METHYL)PHENYL)3METHYLBENZOATE
4(BIS(5HYDROXY3METHYL1HPYRAZOL4YL)METHYL)PHENYL3METHYLBENZOATE
432538517
CC1=CC=CC(=C1)C(=O)OC2=CC=C(C=C2)C(C3=C(NNC3=O)C)C4=C(NNC4=O)C
Cc1cccc(c1)C(=O)Oc1ccc(cc1)C(c1c(C)n(nH)c1O)c1c(C)n(nH)c1O
InChI=1SC23H22N4O4c11254616(1112)23(30)31179715(81017)20(1813(2)242621(18)28)1914(3)252722(19)29h41120H13H3(H2242628)(H2252729)
MFCD03068401
ZINC000004363547
ZINC04363547
ZINC4363547
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