Vitas-M small molecule compound

methyl 6-amino-4-(1,3-benzodioxol-5-yl)-5-cyano-2-methyl-4H-pyran-3-carboxylate

Catalog ID
STK373701
SMILES COC(=O)C1=C(C)OC(=C(C1c1ccc2c(c1)OCO2)C#N)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 C16H14N2O5 MW 314.30 g/mol Purity >90% as per NMR
InChI
InChI=1S/C16H14N2O5/c1-8-13(16(19)20-2)14(10(6-17)15(18)23-8)9-3-4-11-12(5-9)22-7-21-11/h3-5,14H,7,18H2,1-2H3
InChIKey
JSZSPGTXMNVOTE-UHFFFAOYSA-N
Synonyms

6AMINO5CYANO4(34(METHYLENEDIOXY)PHENYL)2METHYL4HPYRAN3CARBOXYLICACIDMETHYLESTER
CC1=C(C(C(=C(O1)N)C#N)C2=CC3=C(C=C2)OCO3)C(=O)OC
InChI=1SC16H14N2O5c1813(16(19)202)14(10(617)15(18)238)9341112(59)2272111h3514H718H212H3
METHYL4(2HBENZO(34D)13DIOXOLAN5YL)6AMINO5CYANO2METHYL4HPYRAN3CARBOXYLATE
methyl6amino4(13benzodioxol5yl)5cyano2methyl4Hpyran3carboxylate
MFCD00816358
ZINC000001504919
ZINC000001504924

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Available files

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