Vitas-M small molecule compound
4-[bis(5-hydroxy-3-methyl-1H-pyrazol-4-yl)methyl]phenyl 2,6-difluorobenzoate
Catalog ID
STL427040
SMILES O=C(c1c(F)cccc1F)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 C22H18F2N4O4 MW 440.41 g/mol Purity >90% as per NMR
InChI
InChI=1S/C22H18F2N4O4/c1-10-16(20(29)27-25-10)18(17-11(2)26-28-21(17)30)12-6-8-13(9-7-12)32-22(31)19-14(23)4-3-5-15(19)24/h3-9,18H,1-2H3,(H2,25,27,29)(H2,26,28,30)InChIKey
WNRVFASDUNRDED-UHFFFAOYSA-NSynonyms
(4(BIS(3METHYL5OXO12DIHYDROPYRAZOL4YL)METHYL)PHENYL)26DIFLUOROBENZOATE
4(bis(5hydroxy3methyl1Hpyrazol4yl)methyl)phenyl26difluorobenzoate
4(BIS(5HYDROXY3METHYLPYRAZOL4YL)METHYL)PHENYL26DIFLUOROBENZOATE
CC1=C(C(=O)NN1)C(C2=CC=C(C=C2)OC(=O)C3=C(C=CC=C3F)F)C4=C(NNC4=O)C
InChI=1SC22H18F2N4O4c11016(20(29)272510)18(1711(2)262821(17)30)126813(9712)3222(31)1914(23)43515(19)24h3918H12H3(H2252729)(H2262830)
MFCD03446213
O=C(c1c(F)cccc1F)Oc1ccc(cc1)C(c1c(O)(nH)nc1C)c1c(O)(nH)nc1C
ZINC000019973449
ZINC19973449
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