Vitas-M small molecule compound
ethyl 5-{5-[bis(5-hydroxy-3-methyl-1H-pyrazol-4-yl)methyl]furan-2-yl}-2-chlorobenzoate
Catalog ID
STK079618
SMILES CCOC(=O)c1cc(ccc1Cl)c1ccc(o1)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 C22H21ClN4O5 MW 456.89 g/mol Purity >90% as per NMR
InChI
InChI=1S/C22H21ClN4O5/c1-4-31-22(30)13-9-12(5-6-14(13)23)15-7-8-16(32-15)19(17-10(2)24-26-20(17)28)18-11(3)25-27-21(18)29/h5-9,19H,4H2,1-3H3,(H2,24,26,28)(H2,25,27,29)InChIKey
SQWBKNBEOUUXDP-UHFFFAOYSA-NSynonyms
CCOC(=O)C1=C(C=CC(=C1)C2=CC=C(O2)C(C3=C(NNC3=O)C)C4=C(NNC4=O)C)Cl
CCOC(=O)c1cc(ccc1Cl)c1ccc(o1)C(c1c(C)n(nH)c1O)c1c(C)n(nH)c1O
ETHYL5(5(BIS(3METHYL5OXO12DIHYDROPYRAZOL4YL)METHYL)FURAN2YL)2CHLOROBENZOATE
ETHYL5(5(BIS(5HYDROXY3METHYL1HPYRAZOL4YL)METHYL)FURAN2YL)2CHLOROBENZOATE
InChI=1SC22H21ClN4O5c143122(30)13912(5614(13)23)157816(3215)19(1710(2)242620(17)28)1811(3)252721(18)29h5919H4H213H3(H2242628)(H2252729)
MFCD03272427
STK079618
ZINC000008426113
ZINC08426113
ZINC8426113
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