Vitas-M small molecule compound
2-amino-4-{4-[(4-chlorobenzyl)oxy]-3-nitrophenyl}-5-oxo-5,6,7,8-tetrahydro-4H-chromene-3-carbonitrile
Catalog ID
STL173083
SMILES N#CC1=C(N)OC2=C(C1c1ccc(c(c1)[N+](=O)[O-])OCc1ccc(cc1)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 C23H18ClN3O5 MW 451.87 g/mol Purity >90% as per NMR
InChI
InChI=1S/C23H18ClN3O5/c24-15-7-4-13(5-8-15)12-31-19-9-6-14(10-17(19)27(29)30)21-16(11-25)23(26)32-20-3-1-2-18(28)22(20)21/h4-10,21H,1-3,12,26H2InChIKey
RXUIOUUWWLAYKE-UHFFFAOYSA-NSynonyms
398136-32-82amino4(4((4chlorobenzyl)oxy)3nitrophenyl)5oxo5678tetrahydro4Hchromene3carbonitrile
2amino4(4((4chlorophenyl)methoxy)3nitrophenyl)5oxo4678tetrahydrochromene3carbonitrile
398136328
C1CC2=C(C(C(=C(O2)N)C#N)C3=CC(=C(C=C3)OCC4=CC=C(C=C4)Cl)(N+)(=O)(O))C(=O)C1
InChI=1SC23H18ClN3O5c24157413(5815)1231199614(1017(19)27(29)30)2116(1125)23(26)322031218(28)22(20)21h41021H131226H2
MFCD02175205
N#CC1=C(N)OC2=C(C1c1ccc(c(c1)(N+)(=O)(O))OCc1ccc(cc1)Cl)C(=O)CCC2
ZINC000000654749
ZINC000000654751
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