Vitas-M small molecule compound

2-amino-7,7-dimethyl-5-oxo-4-(3-phenyl-2,1-benzoxazol-5-yl)-5,6,7,8-tetrahydro-4H-chromene-3-carbonitrile

Catalog ID
STL021818
SMILES N#CC1=C(N)OC2=C(C1c1ccc3c(c1)c(on3)c1ccccc1)C(=O)CC(C2)(C)C

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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 C25H21N3O3 MW 411.46 g/mol Purity >90% as per NMR
InChI
InChI=1S/C25H21N3O3/c1-25(2)11-19(29)22-20(12-25)30-24(27)17(13-26)21(22)15-8-9-18-16(10-15)23(31-28-18)14-6-4-3-5-7-14/h3-10,21H,11-12,27H2,1-2H3
InChIKey
NWUMPDTUDKEOTB-UHFFFAOYSA-N
Synonyms

2amino77dimethyl5oxo4(3phenyl21benzoxazol5yl)5678tetrahydro4Hchromene3carbonitrile
2AMINO77DIMETHYL5OXO4(3PHENYL21BENZOXAZOL5YL)68DIHYDRO4HCHROMENE3CARBONITRILE
2AMINO77DIMETHYL5OXO4(3PHENYLBENZO(C)ISOXAZOL5YL)4H678TRIHYDROCHROMENE3CARBONITRILE
CC1(CC2=C(C(C(=C(O2)N)C#N)C3=CC4=C(ON=C4C=C3)C5=CC=CC=C5)C(=O)C1)C
InChI=1SC25H21N3O3c125(2)1119(29)2220(1225)3024(27)17(1326)21(22)15891816(1015)23(312818)146435714h31021H111227H212H3
MFCD06359538
ZINC000003407916
ZINC000003407919

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Available files

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