Vitas-M small molecule compound
propan-2-yl (2E)-2-cyano-3-(4,7-dimethoxy-6-propyl-1,3-benzodioxol-5-yl)prop-2-enoate
Catalog ID
STK692994
SMILES CCCc1c(/C=C(/C(=O)OC(C)C)\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 C19H23NO6 MW 361.39 g/mol Purity >90% as per NMR
InChI
InChI=1S/C19H23NO6/c1-6-7-13-14(8-12(9-20)19(21)26-11(2)3)16(23-5)18-17(15(13)22-4)24-10-25-18/h8,11H,6-7,10H2,1-5H3/b12-8+InChIKey
WQXWFJRKCWADMY-XYOKQWHBSA-NSynonyms
CCCC1=C(C(=C2C(=C1OC)OCO2)OC)C=C(C#N)C(=O)OC(C)C
CCCc1c(C=C(C(=O)OC(C)C)C#N)c(OC)c2c(c1OC)OCO2
InChI=1SC19H23NO6c1671314(812(920)19(21)2611(2)3)16(235)1817(15(13)224)24102518h811H6710H215H3b128+
MFCD10039028
propan2yl(2E)2cyano3(47dimethoxy6propyl13benzodioxol5yl)prop2enoate
propan2yl(E)2cyano3(47dimethoxy6propyl13benzodioxol5yl)prop2enoate
ZINC000015085458
ZINC15085458
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