Vitas-M small molecule compound

4-[bis(5-hydroxy-3-methyl-1H-pyrazol-4-yl)methyl]phenyl benzoate

Catalog ID
STK040529
SMILES O=C(c1ccccc1)Oc1ccc(cc1)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 C22H20N4O4 MW 404.43 g/mol Purity >90% as per NMR
InChI
InChI=1S/C22H20N4O4/c1-12-17(20(27)25-23-12)19(18-13(2)24-26-21(18)28)14-8-10-16(11-9-14)30-22(29)15-6-4-3-5-7-15/h3-11,19H,1-2H3,(H2,23,25,27)(H2,24,26,28)
InChIKey
DUECNVLLKAXZOT-UHFFFAOYSA-N
Synonyms
433955-50-1
(4(BIS(3METHYL5OXO12DIHYDROPYRAZOL4YL)METHYL)PHENYL)BENZOATE
4(BIS(5HYDROXY3METHYL1HPYRAZOL4YL)METHYL)PHENYLBENZOATE
433955501
CC1=C(C(=O)NN1)C(C2=CC=C(C=C2)OC(=O)C3=CC=CC=C3)C4=C(NNC4=O)C
InChI=1SC22H20N4O4c11217(20(27)252312)19(1813(2)242621(18)28)1481016(11914)3022(29)156435715h31119H12H3(H2232527)(H2242628)
MFCD03269877
O=C(c1ccccc1)Oc1ccc(cc1)C(c1c(O)(nH)nc1C)c1c(O)(nH)nc1C
STK040529
ZINC000004363703
ZINC04363703
ZINC4363703

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Available files

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