Vitas-M small molecule compound

2-amino-4-[3-chloro-5-ethoxy-4-(prop-2-en-1-yloxy)phenyl]-5-oxo-5,6,7,8-tetrahydro-4H-chromene-3-carbonitrile

Catalog ID
STL379711
SMILES C=CCOc1c(Cl)cc(cc1OCC)C1C(=C(N)OC2=C1C(=O)CCC2)C#N

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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 C21H21ClN2O4 MW 400.86 g/mol Purity >90% as per NMR
InChI
InChI=1S/C21H21ClN2O4/c1-3-8-27-20-14(22)9-12(10-17(20)26-4-2)18-13(11-23)21(24)28-16-7-5-6-15(25)19(16)18/h3,9-10,18H,1,4-8,24H2,2H3
InChIKey
HOIBWCCRUIPQBI-UHFFFAOYSA-N
Synonyms

2amino4(3chloro5ethoxy4(prop2en1yloxy)phenyl)5oxo5678tetrahydro4Hchromene3carbonitrile
2amino4(3chloro5ethoxy4prop2enoxyphenyl)5oxo4678tetrahydrochromene3carbonitrile
2AMINO4(3CHLORO5ETHOXY4PROP2ENYLOXYPHENYL)5OXO4H678TRIHYDROCHROMENE3CARBONITRILE
CCOC1=C(C(=CC(=C1)C2C(=C(OC3=C2C(=O)CCC3)N)C#N)Cl)OCC=C
InChI=1SC21H21ClN2O4c138272014(22)912(1017(20)2642)1813(1123)21(24)281675615(25)19(16)18h391018H14824H22H3
MFCD05239505
ZINC000004574886
ZINC000004574887

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Available files

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