Vitas-M small molecule compound
ethyl (2E)-2-cyano-3-[3-ethoxy-4-(2-ethoxy-2-oxoethoxy)phenyl]prop-2-enoate
Catalog ID
STK506431
SMILES CCOC(=O)COc1ccc(cc1OCC)/C=C(/C(=O)OCC)\C#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 C18H21NO6 MW 347.37 g/mol Purity >90% as per NMR
InChI
InChI=1S/C18H21NO6/c1-4-22-16-10-13(9-14(11-19)18(21)24-6-3)7-8-15(16)25-12-17(20)23-5-2/h7-10H,4-6,12H2,1-3H3/b14-9+InChIKey
HHYAGRWLVDVSOI-NTEUORMPSA-NSynonyms
CCOC(=O)COc1ccc(cc1OCC)C=C(C(=O)OCC)C#N
CCOC1=C(C=CC(=C1)C=C(C#N)C(=O)OCC)OCC(=O)OCC
ethyl(2E)2cyano3(3ethoxy4(2ethoxy2oxoethoxy)phenyl)prop2enoate
ethyl(E)2cyano3(3ethoxy4(2ethoxy2oxoethoxy)phenyl)prop2enoate
InChI=1SC18H21NO6c1422161013(914(1119)18(21)2463)7815(16)251217(20)2352h710H4612H213H3b149+
MFCD04141500
ZINC000002773479
ZINC02773479
ZINC2773479
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