Vitas-M small molecule compound

methyl 6-amino-5-cyano-2-(2-methoxy-2-oxoethyl)-4-(4-nitrophenyl)-4H-pyran-3-carboxylate

Catalog ID
STK065930
SMILES COC(=O)C1=C(CC(=O)OC)OC(=C(C1c1ccc(cc1)[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 C17H15N3O7 MW 373.32 g/mol Purity >90% as per NMR
InChI
InChI=1S/C17H15N3O7/c1-25-13(21)7-12-15(17(22)26-2)14(11(8-18)16(19)27-12)9-3-5-10(6-4-9)20(23)24/h3-6,14H,7,19H2,1-2H3
InChIKey
AYFTVMLPURCKGA-UHFFFAOYSA-N
Synonyms
487007-67-0
4(4NITROPHENYL)3(METHOXYCARBONYL)5CYANO6AMINO4HPYRAN2ACETICACIDMETHYLESTER
487007670
COC(=O)C1=C(CC(=O)OC)OC(=C(C1c1ccc(cc1)(N+)(=O)(O))C#N)N
COC(=O)CC1=C(C(C(=C(O1)N)C#N)C2=CC=C(C=C2)(N+)(=O)(O))C(=O)OC
InChI=1SC17H15N3O7c12513(21)71215(17(22)262)14(11(818)16(19)2712)93510(649)20(23)24h3614H719H212H3
METHYL(4R)6AMINO5CYANO2(2METHOXY2OXOETHYL)4(4NITROPHENYL)4HPYRAN3CARBOXYLATE
METHYL(4S)6AMINO5CYANO2(2METHOXY2OXOETHYL)4(4NITROPHENYL)4HPYRAN3CARBOXYLATE
METHYL6AMINO5CYANO2(2METHOXY2OXOETHYL)4(4NITROPHENYL)4HPYRAN3CARBOXYLATE
MFCD01605392
STK065930
ZINC000001799633
ZINC000001799635

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Available files

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