Vitas-M small molecule compound
2-amino-5-oxo-4-[4-(trifluoromethyl)phenyl]-4H,5H-thiochromeno[4,3-b]pyran-3-carbonitrile
Catalog ID
STK779955
SMILES N#CC1=C(N)Oc2c(C1c1ccc(cc1)C(F)(F)F)c(=O)sc1c2cccc1
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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 C20H11F3N2O2S MW 400.38 g/mol Purity >90% as per NMR
InChI
InChI=1S/C20H11F3N2O2S/c21-20(22,23)11-7-5-10(6-8-11)15-13(9-24)18(25)27-17-12-3-1-2-4-14(12)28-19(26)16(15)17/h1-8,15H,25H2InChIKey
CCKDVZQOUAOUBJ-UHFFFAOYSA-NSynonyms
(4R)2AMINO5OXO4(4(TRIFLUOROMETHYL)PHENYL)4H5HTHIOCHROMENO(43B)PYRAN3CARBONITRILE
(4S)2AMINO5OXO4(4(TRIFLUOROMETHYL)PHENYL)4H5HTHIOCHROMENO(43B)PYRAN3CARBONITRILE
2amino5oxo4(4(trifluoromethyl)phenyl)4H5Hthiochromeno(43b)pyran3carbonitrile
2AMINO5OXO4(4(TRIFLUOROMETHYL)PHENYL)4HTHIOCHROMENO(43B)PYRAN3CARBONITRILE
C1=CC=C2C(=C1)C3=C(C(C(=C(O3)N)C#N)C4=CC=C(C=C4)C(F)(F)F)C(=O)S2
InChI=1SC20H11F3N2O2Sc2120(2223)117510(6811)1513(924)18(25)271712312414(12)2819(26)16(15)17h1815H25H2
MFCD05859542
ZINC000001430519
ZINC000001430520
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