Vitas-M small molecule compound
methyl 6-amino-5-cyano-2-methyl-4-(3-nitrophenyl)-4H-pyran-3-carboxylate
Catalog ID
STL321343
SMILES COC(=O)C1=C(C)OC(=C(C1c1cccc(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 C15H13N3O5 MW 315.29 g/mol Purity >90% as per NMR
InChI
InChI=1S/C15H13N3O5/c1-8-12(15(19)22-2)13(11(7-16)14(17)23-8)9-4-3-5-10(6-9)18(20)21/h3-6,13H,17H2,1-2H3InChIKey
BQDUCXHYVGURGA-UHFFFAOYSA-NSynonyms
176106-08-4176106084
2METHYL4(3NITROPHENYL)5CYANO6AMINO4HPYRAN3CARBOXYLICACIDMETHYLESTER
CC1=C(C(C(=C(O1)N)C#N)C2=CC(=CC=C2)(N+)(=O)(O))C(=O)OC
COC(=O)C1=C(C)OC(=C(C1c1cccc(c1)(N+)(=O)(O))C#N)N
InChI=1SC15H13N3O5c1812(15(19)222)13(11(716)14(17)238)943510(69)18(20)21h3613H17H212H3
methyl6amino5cyano2methyl4(3nitrophenyl)4Hpyran3carboxylate
METHYL6AMINO5CYANO4(3NITROPHENYL)2METHYL4HPYRAN3CARBOXYLATE
MFCD00731081
ZINC000000098036
ZINC000000098038
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