Vitas-M small molecule compound
2-amino-7,7-dimethyl-5-oxo-4-(phenylethynyl)-5,6,7,8-tetrahydro-4H-chromene-3-carbonitrile
Catalog ID
STK083269
SMILES N#CC1=C(N)OC2=C(C1C#Cc1ccccc1)C(=O)CC(C2)(C)C
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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 C20H18N2O2 MW 318.38 g/mol Purity >90% as per NMR
InChI
InChI=1S/C20H18N2O2/c1-20(2)10-16(23)18-14(9-8-13-6-4-3-5-7-13)15(12-21)19(22)24-17(18)11-20/h3-7,14H,10-11,22H2,1-2H3InChIKey
PDGWLXMAHRVODU-UHFFFAOYSA-NSynonyms
664971-79-32amino77dimethyl5oxo4(2phenylethynyl)68dihydro4Hchromene3carbonitrile
2amino77dimethyl5oxo4(phenylethynyl)5678tetrahydro4Hchromene3carbonitrile
664971793
CC1(CC2=C(C(C(=C(O2)N)C#N)C#CC3=CC=CC=C3)C(=O)C1)C
InChI=1SC20H18N2O2c120(2)1016(23)1814(98136435713)15(1221)19(22)2417(18)1120h3714H101122H212H3
MFCD03640195
N#CC1=C(N)OC2=C(C1C#Cc1ccccc1)C(=O)CC(C2)(C)C
STK083269
ZINC000000099941
ZINC000002497083
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