Vitas-M small molecule compound
ethyl {4-[3-amino-1-(1,3-benzodioxol-5-yl)-3-oxopropyl]-5-oxo-2,5-dihydro-1H-pyrazol-3-yl}acetate
Catalog ID
STL435152
SMILES CCOC(=O)Cc1[nH][nH]c(=O)c1C(c1ccc2c(c1)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 C17H19N3O6 MW 361.35 g/mol Purity >90% as per NMR
InChI
InChI=1S/C17H19N3O6/c1-2-24-15(22)7-11-16(17(23)20-19-11)10(6-14(18)21)9-3-4-12-13(5-9)26-8-25-12/h3-5,10H,2,6-8H2,1H3,(H2,18,21)(H2,19,20,23)InChIKey
IJASDLCDCJOGMW-UHFFFAOYSA-NSynonyms
CCOC(=O)Cc1(nH)(nH)c(=O)c1C(c1ccc2c(c1)OCO2)CC(=O)N
CCOC(=O)CC1=C(C(=O)NN1)C(CC(=O)N)C2=CC3=C(C=C2)OCO3
ethyl(4(3amino1(13benzodioxol5yl)3oxopropyl)5oxo25dihydro1Hpyrazol3yl)acetate
ethyl2(4(3amino1(13benzodioxol5yl)3oxopropyl)5oxo12dihydropyrazol3yl)acetate
InChI=1SC17H19N3O6c122415(22)71116(17(23)201911)10(614(18)21)9341213(59)2682512h3510H268H21H3(H21821)(H2192023)
MFCD30711688
ZINC000253470924
ZINC000253470925
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