Vitas-M small molecule compound
ethyl 6-amino-5-cyano-4-(3-nitrophenyl)-2-phenyl-4H-pyran-3-carboxylate
Catalog ID
STK083738
SMILES CCOC(=O)C1=C(OC(=C(C1c1cccc(c1)[N+](=O)[O-])C#N)N)c1ccccc1
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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 C21H17N3O5 MW 391.38 g/mol Purity >90% as per NMR
InChI
InChI=1S/C21H17N3O5/c1-2-28-21(25)18-17(14-9-6-10-15(11-14)24(26)27)16(12-22)20(23)29-19(18)13-7-4-3-5-8-13/h3-11,17H,2,23H2,1H3InChIKey
CXDFORFAILDJBA-UHFFFAOYSA-NSynonyms
CCOC(=O)C1=C(OC(=C(C1c1cccc(c1)(N+)(=O)(O))C#N)N)c1ccccc1
CCOC(=O)C1=C(OC(=C(C1C2=CC(=CC=C2)(N+)(=O)(O))C#N)N)C3=CC=CC=C3
ETHYL6AMINO5CYANO4(3NITROPHENYL)2PHENYL4HPYRAN3CARBOXYLATE
InChI=1SC21H17N3O5c122821(25)1817(14961015(1114)24(26)27)16(1222)20(23)2919(18)137435813h31117H223H21H3
MFCD00581082
STK083738
ZINC000000704319
ZINC000000704320
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