Vitas-M small molecule compound
2-amino-4-[3,5-dichloro-4-(prop-2-yn-1-yloxy)phenyl]-7,7-dimethyl-5-oxo-5,6,7,8-tetrahydro-4H-chromene-3-carbonitrile
Catalog ID
STL419346
SMILES C#CCOc1c(Cl)cc(cc1Cl)C1C(=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 C21H18Cl2N2O3 MW 417.29 g/mol Purity >90% as per NMR
InChI
InChI=1S/C21H18Cl2N2O3/c1-4-5-27-19-13(22)6-11(7-14(19)23)17-12(10-24)20(25)28-16-9-21(2,3)8-15(26)18(16)17/h1,6-7,17H,5,8-9,25H2,2-3H3InChIKey
QQWNSTMQFNXGEE-UHFFFAOYSA-NSynonyms
2amino4(35dichloro4(prop2yn1yloxy)phenyl)77dimethyl5oxo5678tetrahydro4Hchromene3carbonitrile
2AMINO4(35DICHLORO4PROP2YNOXYPHENYL)77DIMETHYL5OXO68DIHYDRO4HCHROMENE3CARBONITRILE
2AMINO4(35DICHLORO4PROP2YNYLOXYPHENYL)77DIMETHYL5OXO4H678TRIHYDROCHROMENE3CARBONITRILE
CC1(CC2=C(C(C(=C(O2)N)C#N)C3=CC(=C(C(=C3)Cl)OCC#C)Cl)C(=O)C1)C
InChI=1SC21H18Cl2N2O3c145271913(22)611(714(19)23)1712(1024)20(25)2816921(23)815(26)18(16)17h16717H58925H223H3
MFCD05239582
ZINC000004454778
ZINC000004454779
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