Vitas-M small molecule compound
methyl {4-[bis(5-hydroxy-3-methyl-1H-pyrazol-4-yl)methyl]-2-chloro-6-methoxyphenoxy}acetate
Catalog ID
STK279143
SMILES COC(=O)COc1c(Cl)cc(cc1OC)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 C19H21ClN4O6 MW 436.85 g/mol Purity >90% as per NMR
InChI
InChI=1S/C19H21ClN4O6/c1-8-14(18(26)23-21-8)16(15-9(2)22-24-19(15)27)10-5-11(20)17(12(6-10)28-3)30-7-13(25)29-4/h5-6,16H,7H2,1-4H3,(H2,21,23,26)(H2,22,24,27)InChIKey
IUKVXOJSVKRJDB-UHFFFAOYSA-NSynonyms
CC1=C(C(=O)NN1)C(C2=CC(=C(C(=C2)Cl)OCC(=O)OC)OC)C3=C(NNC3=O)C
COC(=O)COc1c(Cl)cc(cc1OC)C(c1c(C)n(nH)c1O)c1c(C)n(nH)c1O
InChI=1SC19H21ClN4O6c1814(18(26)23218)16(159(2)222419(15)27)10511(20)17(12(610)283)30713(25)294h5616H7H214H3(H2212326)(H2222427)
METHYL(4(BIS(5HYDROXY3METHYL1HPYRAZOL4YL)METHYL)2CHLORO6METHOXYPHENOXY)ACETATE
methyl2(4(bis(3methyl5oxo12dihydropyrazol4yl)methyl)2chloro6methoxyphenoxy)acetate
MFCD09269721
ZINC000009096114
ZINC9096114
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