Vitas-M small molecule compound
2-amino-4-(6-chloro-1,3-benzodioxol-5-yl)-5-oxo-5,6,7,8-tetrahydro-4H-chromene-3-carbonitrile
Catalog ID
STK092302
SMILES N#CC1=C(N)OC2=C(C1c1cc3OCOc3cc1Cl)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 C17H13ClN2O4 MW 344.75 g/mol Purity >90% as per NMR
InChI
InChI=1S/C17H13ClN2O4/c18-10-5-14-13(22-7-23-14)4-8(10)15-9(6-19)17(20)24-12-3-1-2-11(21)16(12)15/h4-5,15H,1-3,7,20H2InChIKey
OFKWFLOSCXJSRH-UHFFFAOYSA-NSynonyms
2AMINO4(6CHLORO(2HBENZO(D)13DIOXOLEN5YL))5OXO4H678TRIHYDROCHROMENE3CARBONITRILE
2amino4(6chloro13benzodioxol5yl)5oxo4678tetrahydrochromene3carbonitrile
2amino4(6chloro13benzodioxol5yl)5oxo5678tetrahydro4Hchromene3carbonitrile
C1CC2=C(C(C(=C(O2)N)C#N)C3=CC4=C(C=C3Cl)OCO4)C(=O)C1
InChI=1SC17H13ClN2O4c181051413(2272314)48(10)159(619)17(20)241231211(21)16(12)15h4515H13720H2
MFCD01822790
N#CC1=C(N)OC2=C(C1c1cc3OCOc3cc1Cl)C(=O)CCC2
STK092302
ZINC000004674957
ZINC000004674959
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