Vitas-M small molecule compound
4-(2-amino-3-cyano-7,7-dimethyl-5-oxo-5,6,7,8-tetrahydro-4H-chromen-4-yl)phenyl acetate
Catalog ID
STK709567
SMILES N#CC1=C(N)OC2=C(C1c1ccc(cc1)OC(=O)C)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/c1-11(23)25-13-6-4-12(5-7-13)17-14(10-21)19(22)26-16-9-20(2,3)8-15(24)18(16)17/h4-7,17H,8-9,22H2,1-3H3InChIKey
RUVUSXJXOXZCNJ-UHFFFAOYSA-NSynonyms
(4(2AMINO3CYANO77DIMETHYL5OXO68DIHYDRO4HCHROMEN4YL)PHENYL)ACETATE
4(2amino3cyano77dimethyl5oxo5678tetrahydro4Hchromen4yl)phenylacetate
CC(=O)OC1=CC=C(C=C1)C2C(=C(OC3=C2C(=O)CC(C3)(C)C)N)C#N
InChI=1SC20H20N2O4c111(23)25136412(5713)1714(1021)19(22)2616920(23)815(24)18(16)17h4717H8922H213H3
MFCD00843295
ZINC000001051152
ZINC000001051153
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