Vitas-M small molecule compound

3-(5-chloro-2-hydroxy-4-methylphenyl)-4-(3-ethoxy-4-hydroxyphenyl)-5-(2-hydroxyethyl)-4,5-dihydropyrrolo[3,4-c]pyrazol-6(2H)-one

Catalog ID
STK599033
SMILES OCCN1C(=O)c2c(C1c1ccc(c(c1)OCC)O)c([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 C22H22ClN3O5 MW 443.89 g/mol Purity >90% as per NMR
InChI
InChI=1S/C22H22ClN3O5/c1-3-31-17-9-12(4-5-15(17)28)21-18-19(13-10-14(23)11(2)8-16(13)29)24-25-20(18)22(30)26(21)6-7-27/h4-5,8-10,21,27-29H,3,6-7H2,1-2H3,(H,24,25)
InChIKey
SXOQDWPVYVRITA-UHFFFAOYSA-N
Synonyms
880397-54-6
3(5chloro2hydroxy4methylphenyl)4(3ethoxy4hydroxyphenyl)5(2hydroxyethyl)45dihydropyrrolo(34c)pyrazol6(1H)one
3(5chloro2hydroxy4methylphenyl)4(3ethoxy4hydroxyphenyl)5(2hydroxyethyl)45dihydropyrrolo(34c)pyrazol6(2H)one
880397546
MFCD07212214
OCCN1C(=O)c2c(C1c1ccc(c(c1)OCC)O)c((nH)n2)c1cc(Cl)c(cc1O)C
OCCN1C(c2ccc(c(c2)OCC)O)c2c(C1=O)(nH)nc2c1cc(Cl)c(cc1O)C
ZINC000009293097
ZINC000009293098

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Available files

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