Vitas-M small molecule compound
ethyl {4-[3-amino-1-(4,7-dimethoxy-1,3-benzodioxol-5-yl)-3-oxopropyl]-5-oxo-2,5-dihydro-1H-pyrazol-3-yl}acetate
Catalog ID
STL435154
SMILES CCOC(=O)Cc1[nH][nH]c(=O)c1C(c1cc(OC)c2c(c1OC)OCO2)CC(=O)N
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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 C19H23N3O8 MW 421.41 g/mol Purity >90% as per NMR
InChI
InChI=1S/C19H23N3O8/c1-4-28-14(24)7-11-15(19(25)22-21-11)9(6-13(20)23)10-5-12(26-2)17-18(16(10)27-3)30-8-29-17/h5,9H,4,6-8H2,1-3H3,(H2,20,23)(H2,21,22,25)InChIKey
VFOKIZFQHZOZPS-UHFFFAOYSA-NSynonyms
CCOC(=O)Cc1(nH)(nH)c(=O)c1C(c1cc(OC)c2c(c1OC)OCO2)CC(=O)N
CCOC(=O)CC1=C(C(=O)NN1)C(CC(=O)N)C2=CC(=C3C(=C2OC)OCO3)OC
ethyl(4(3amino1(47dimethoxy13benzodioxol5yl)3oxopropyl)5oxo25dihydro1Hpyrazol3yl)acetate
ethyl2(4(3amino1(47dimethoxy13benzodioxol5yl)3oxopropyl)5oxo12dihydropyrazol3yl)acetate
InChI=1SC19H23N3O8c142814(24)71115(19(25)222111)9(613(20)23)10512(262)1718(16(10)273)3082917h59H468H213H3(H22023)(H2212225)
MFCD30711690
ZINC000253471564
ZINC000253471566
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