Vitas-M small molecule compound
methyl [2-(2-amino-3-cyano-7,7-dimethyl-5-oxo-5,6,7,8-tetrahydro-4H-chromen-4-yl)phenoxy]acetate
Catalog ID
STL371433
SMILES COC(=O)COc1ccccc1C1C(=C(N)OC2=C1C(=O)CC(C2)(C)C)C#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 C21H22N2O5 MW 382.42 g/mol Purity >90% as per NMR
InChI
InChI=1S/C21H22N2O5/c1-21(2)8-14(24)19-16(9-21)28-20(23)13(10-22)18(19)12-6-4-5-7-15(12)27-11-17(25)26-3/h4-7,18H,8-9,11,23H2,1-3H3InChIKey
CCADMCHJGICWFI-UHFFFAOYSA-NSynonyms
CC1(CC2=C(C(C(=C(O2)N)C#N)C3=CC=CC=C3OCC(=O)OC)C(=O)C1)C
InChI=1SC21H22N2O5c121(2)814(24)1916(921)2820(23)13(1022)18(19)12645715(12)271117(25)263h4718H891123H213H3
methyl(2(2amino3cyano77dimethyl5oxo5678tetrahydro4Hchromen4yl)phenoxy)acetate
METHYL2(2(2AMINO3CYANO77DIMETHYL5OXO4H678TRIHYDROCHROMEN4YL)PHENOXY)ACETATE
METHYL2(2(2AMINO3CYANO77DIMETHYL5OXO68DIHYDRO4HCHROMEN4YL)PHENOXY)ACETATE
MFCD05818451
ZINC000000818642
ZINC000000818643
Check stock
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Check stock on Vitas-MAvailable files
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