Vitas-M small molecule compound
2-amino-4-{4-[(2-chloro-4-fluorophenoxy)methyl]-5-methylthiophen-2-yl}-5-oxo-5,6,7,8-tetrahydro-4H-chromene-3-carbonitrile
Catalog ID
STL175741
SMILES N#CC1=C(N)OC2=C(C1c1cc(c(s1)C)COc1ccc(cc1Cl)F)C(=O)CCC2
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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 C22H18ClFN2O3S MW 444.91 g/mol Purity >90% as per NMR
InChI
InChI=1S/C22H18ClFN2O3S/c1-11-12(10-28-17-6-5-13(24)8-15(17)23)7-19(30-11)20-14(9-25)22(26)29-18-4-2-3-16(27)21(18)20/h5-8,20H,2-4,10,26H2,1H3InChIKey
SAEMEDCZTTUYFT-UHFFFAOYSA-NSynonyms
2amino4(4((2chloro4fluorophenoxy)methyl)5methylthiophen2yl)5oxo4678tetrahydrochromene3carbonitrile
2amino4(4((2chloro4fluorophenoxy)methyl)5methylthiophen2yl)5oxo5678tetrahydro4Hchromene3carbonitrile
CC1=C(C=C(S1)C2C(=C(OC3=C2C(=O)CCC3)N)C#N)COC4=C(C=C(C=C4)F)Cl
InChI=1SC22H18ClFN2O3Sc11112(1028176513(24)815(17)23)719(3011)2014(925)22(26)291842316(27)21(18)20h5820H241026H21H3
MFCD03312621
ZINC000000650858
ZINC000000650860
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