Vitas-M small molecule compound
3-(5-chloro-2-hydroxy-4-methylphenyl)-4-(3-ethoxy-4-hydroxyphenyl)-5-(4-fluorobenzyl)-4,5-dihydropyrrolo[3,4-c]pyrazol-6(2H)-one
Catalog ID
STK595970
SMILES CCOc1cc(ccc1O)C1N(Cc2ccc(cc2)F)C(=O)c2c1c([nH]n2)c1cc(Cl)c(cc1O)C
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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 C27H23ClFN3O4 MW 507.95 g/mol Purity >90% as per NMR
InChI
InChI=1S/C27H23ClFN3O4/c1-3-36-22-11-16(6-9-20(22)33)26-23-24(18-12-19(28)14(2)10-21(18)34)30-31-25(23)27(35)32(26)13-15-4-7-17(29)8-5-15/h4-12,26,33-34H,3,13H2,1-2H3,(H,30,31)InChIKey
LAQRVSRQBZQCPK-UHFFFAOYSA-NSynonyms
866238-04-23(5chloro2hydroxy4methylphenyl)4(3ethoxy4hydroxyphenyl)5(4fluorobenzyl)45dihydropyrrolo(34c)pyrazol6(1H)one
3(5chloro2hydroxy4methylphenyl)4(3ethoxy4hydroxyphenyl)5(4fluorobenzyl)45dihydropyrrolo(34c)pyrazol6(2H)one
866238042
CCOc1cc(ccc1O)C1c2c(n(nH)c2C(=O)N1Cc1ccc(cc1)F)c1cc(Cl)c(cc1O)C
CCOc1cc(ccc1O)C1N(Cc2ccc(cc2)F)C(=O)c2c1c((nH)n2)c1cc(Cl)c(cc1O)C
MFCD07198654
ZINC000008845499
ZINC000008845500
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