Vitas-M small molecule compound

methyl 6-amino-5-cyano-2-methyl-4-(4-nitrothiophen-2-yl)-4H-pyran-3-carboxylate

Catalog ID
STK746818
SMILES COC(=O)C1=C(C)OC(=C(C1c1scc(c1)[N+](=O)[O-])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 C13H11N3O5S MW 321.31 g/mol Purity >90% as per NMR
InChI
InChI=1S/C13H11N3O5S/c1-6-10(13(17)20-2)11(8(4-14)12(15)21-6)9-3-7(5-22-9)16(18)19/h3,5,11H,15H2,1-2H3
InChIKey
BVLSFKDBEYDSEU-UHFFFAOYSA-N
Synonyms

CC1=C(C(C(=C(O1)N)C#N)C2=CC(=CS2)(N+)(=O)(O))C(=O)OC
COC(=O)C1=C(C)OC(=C(C1c1scc(c1)(N+)(=O)(O))C#N)N
InChI=1SC13H11N3O5Sc1610(13(17)202)11(8(414)12(15)216)937(5229)16(18)19h3511H15H212H3
METHYL6AMINO5CYANO2METHYL4(4NITRO(2THIENYL))4HPYRAN3CARBOXYLATE
methyl6amino5cyano2methyl4(4nitrothiophen2yl)4Hpyran3carboxylate
MFCD00473100
ZINC000002489551
ZINC000002489553

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Available files

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