Vitas-M small molecule compound
methyl 4-(2-amino-3-cyano-7,7-dimethyl-5-oxo-5,6,7,8-tetrahydro-4H-chromen-4-yl)benzoate
Catalog ID
STK100079
SMILES N#CC1=C(N)OC2=C(C1c1ccc(cc1)C(=O)OC)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 C20H20N2O4 MW 352.39 g/mol Purity >90% as per NMR
InChI
InChI=1S/C20H20N2O4/c1-20(2)8-14(23)17-15(9-20)26-18(22)13(10-21)16(17)11-4-6-12(7-5-11)19(24)25-3/h4-7,16H,8-9,22H2,1-3H3InChIKey
UBVCXYTVNQJOJJ-UHFFFAOYSA-NSynonyms
354554-72-6354554726
CC1(CC2=C(C(C(=C(O2)N)C#N)C3=CC=C(C=C3)C(=O)OC)C(=O)C1)C
InChI=1SC20H20N2O4c120(2)814(23)1715(920)2618(22)13(1021)16(17)114612(7511)19(24)253h4716H8922H213H3
METHYL4(2AMINO3CYANO77DIMETHYL5OXO4H678TRIHYDROCHROMEN4YL)BENZOATE
methyl4(2amino3cyano77dimethyl5oxo5678tetrahydro4Hchromen4yl)benzoate
METHYL4(2AMINO3CYANO77DIMETHYL5OXO68DIHYDRO4HCHROMEN4YL)BENZOATE
MFCD01835847
ZINC000000806455
ZINC000000806456
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