Vitas-M small molecule compound
prop-2-en-1-yl 6-amino-5-cyano-2-methyl-4-(3-nitrophenyl)-4H-pyran-3-carboxylate
Catalog ID
STK758909
SMILES C=CCOC(=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 C17H15N3O5 MW 341.32 g/mol Purity >90% as per NMR
InChI
InChI=1S/C17H15N3O5/c1-3-7-24-17(21)14-10(2)25-16(19)13(9-18)15(14)11-5-4-6-12(8-11)20(22)23/h3-6,8,15H,1,7,19H2,2H3InChIKey
XGHDRNYHMLHKQS-UHFFFAOYSA-NSynonyms
C=CCOC(=O)C1=C(C)OC(=C(C1c1cccc(c1)(N+)(=O)(O))C#N)N
CC1=C(C(C(=C(O1)N)C#N)C2=CC(=CC=C2)(N+)(=O)(O))C(=O)OCC=C
InChI=1SC17H15N3O5c1372417(21)1410(2)2516(19)13(918)15(14)1154612(811)20(22)23h36815H1719H22H3
MFCD01460391
prop2en1yl6amino5cyano2methyl4(3nitrophenyl)4Hpyran3carboxylate
PROP2ENYL6AMINO5CYANO2METHYL4(3NITROPHENYL)4HPYRAN3CARBOXYLATE
ZINC000002491175
ZINC000002491177
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