Vitas-M small molecule compound
ethyl 5-[(4,7-dimethoxy-6-nitro-1,3-benzodioxol-5-yl)methyl]-4,5-dihydro-1,2-oxazole-3-carboxylate
Catalog ID
STK692209
SMILES CCOC(=O)C1=NOC(C1)Cc1c([N+](=O)[O-])c(OC)c2c(c1OC)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 C16H18N2O9 MW 382.33 g/mol Purity >90% as per NMR
InChI
InChI=1S/C16H18N2O9/c1-4-24-16(19)10-6-8(27-17-10)5-9-11(18(20)21)13(23-3)15-14(12(9)22-2)25-7-26-15/h8H,4-7H2,1-3H3InChIKey
DEQQFKUWXYUHCY-UHFFFAOYSA-NSynonyms
CCOC(=O)C1=NOC(C1)Cc1c((N+)(=O)(O))c(OC)c2c(c1OC)OCO2
CCOC(=O)C1=NOC(C1)CC2=C(C(=C3C(=C2OC)OCO3)OC)(N+)(=O)(O)
ethyl5((47dimethoxy6nitro13benzodioxol5yl)methyl)45dihydro12oxazole3carboxylate
InChI=1SC16H18N2O9c142416(19)1068(271710)5911(18(20)21)13(233)1514(12(9)222)2572615h8H47H213H3
MFCD10038129
ZINC000015082629
ZINC000015082631
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