Vitas-M small molecule compound

methyl (2E)-2-cyano-3-(4-hydroxy-3,5-dimethoxyphenyl)prop-2-enoate

Catalog ID
STK447490
SMILES COC(=O)/C(=C/c1cc(OC)c(c(c1)OC)O)/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 C13H13NO5 MW 263.25 g/mol Purity >90% as per NMR
InChI
InChI=1S/C13H13NO5/c1-17-10-5-8(6-11(18-2)12(10)15)4-9(7-14)13(16)19-3/h4-6,15H,1-3H3/b9-4+
InChIKey
RIATTXRBOBWMME-RUDMXATFSA-N
Synonyms
150973-64-1
150973641
COC(=O)C(=Cc1cc(OC)c(c(c1)OC)O)C#N
COC1=CC(=CC(=C1O)OC)C=C(C#N)C(=O)OC
InChI=1SC13H13NO5c1171058(611(182)12(10)15)49(714)13(16)193h4615H13H3b94+
methyl(2E)2cyano3(4hydroxy35dimethoxyphenyl)prop2enoate
METHYL(E)2CYANO3(4HYDROXY35DIMETHOXYPHENYL)PROP2ENOATE
MFCD01329736
ZINC000000439304
ZINC00439304
ZINC439304

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Available files

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