Vitas-M small molecule compound
2-amino-5-oxo-4-[5-(2,4,6-trichlorophenyl)furan-2-yl]-5,6,7,8-tetrahydro-4H-chromene-3-carbonitrile
Catalog ID
STK052398
SMILES N#CC1=C(N)OC2=C(C1c1ccc(o1)c1c(Cl)cc(cc1Cl)Cl)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 C20H13Cl3N2O3 MW 435.69 g/mol Purity >90% as per NMR
InChI
InChI=1S/C20H13Cl3N2O3/c21-9-6-11(22)18(12(23)7-9)16-5-4-15(27-16)17-10(8-24)20(25)28-14-3-1-2-13(26)19(14)17/h4-7,17H,1-3,25H2InChIKey
PAJNTPJDYOIFEI-UHFFFAOYSA-NSynonyms
2amino5oxo4(5(246trichlorophenyl)furan2yl)4678tetrahydrochromene3carbonitrile
2amino5oxo4(5(246trichlorophenyl)furan2yl)5678tetrahydro4Hchromene3carbonitrile
C1CC2=C(C(C(=C(O2)N)C#N)C3=CC=C(O3)C4=C(C=C(C=C4Cl)Cl)Cl)C(=O)C1
InChI=1SC20H13Cl3N2O3c219611(22)18(12(23)79)165415(2716)1710(824)20(25)281431213(26)19(14)17h4717H1325H2
MFCD02728992
N#CC1=C(N)OC2=C(C1c1ccc(o1)c1c(Cl)cc(cc1Cl)Cl)C(=O)CCC2
STK052398
ZINC000000625606
ZINC000000625608
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