Vitas-M small molecule compound

ethyl 5-({4-[(E)-(hydroxyimino)methyl]-6,7-dimethoxy-1,3-benzodioxol-5-yl}methyl)-4,5-dihydro-1,2-oxazole-3-carboxylate

Catalog ID
STK693176
SMILES CCOC(=O)C1=NOC(C1)Cc1c(OC)c(OC)c2c(c1/C=N/O)OCO2

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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 C17H20N2O8 MW 380.35 g/mol Purity >90% as per NMR
InChI
InChI=1S/C17H20N2O8/c1-4-24-17(20)12-6-9(27-19-12)5-10-11(7-18-21)14-16(26-8-25-14)15(23-3)13(10)22-2/h7,9,21H,4-6,8H2,1-3H3/b18-7+
InChIKey
WYXLRFQUZOZVMJ-CNHKJKLMSA-N
Synonyms

CCOC(=O)C1=NOC(C1)Cc1c(OC)c(OC)c2c(c1C=NO)OCO2
CCOC(=O)C1=NOC(C1)CC2=C(C3=C(C(=C2OC)OC)OCO3)C=NO
ethyl5((4((E)(hydroxyimino)methyl)67dimethoxy13benzodioxol5yl)methyl)45dihydro12oxazole3carboxylate
ethyl5((4((E)hydroxyiminomethyl)67dimethoxy13benzodioxol5yl)methyl)45dihydro12oxazole3carboxylate
InChI=1SC17H20N2O8c142417(20)1269(271912)51011(71821)1416(2682514)15(233)13(10)222h7921H468H213H3b187+
MFCD10039248
ZINC000015086069
ZINC000015086071

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Available files

Download the SDF, MOL, 3D structure and SDS documents from Vitas-M.