Vitas-M small molecule compound
ethyl 5-{[6-(2,2-dicyanoethenyl)-4,7-dimethoxy-1,3-benzodioxol-5-yl]methyl}-4,5-dihydro-1,2-oxazole-3-carboxylate
Catalog ID
STK692767
SMILES CCOC(=O)C1=NOC(C1)Cc1c(C=C(C#N)C#N)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 C20H19N3O7 MW 413.39 g/mol Purity >90% as per NMR
InChI
InChI=1S/C20H19N3O7/c1-4-27-20(24)15-7-12(30-23-15)6-14-13(5-11(8-21)9-22)16(25-2)18-19(17(14)26-3)29-10-28-18/h5,12H,4,6-7,10H2,1-3H3InChIKey
DHDYEHQCWMPUMP-UHFFFAOYSA-NSynonyms
CCOC(=O)C1=NOC(C1)CC2=C(C(=C3C(=C2OC)OCO3)OC)C=C(C#N)C#N
ethyl5((6(22dicyanoethenyl)47dimethoxy13benzodioxol5yl)methyl)45dihydro12oxazole3carboxylate
InChI=1SC20H19N3O7c142720(24)15712(302315)61413(511(821)922)16(252)1819(17(14)263)29102818h512H46710H213H3
MFCD10038784
ZINC000015084725
ZINC000015084727
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