Vitas-M small molecule compound
4-(1,3-benzodioxol-5-yl)-7,7-dimethyl-5-oxo-2-(1H-pyrrol-1-yl)-5,6,7,8-tetrahydro-4H-chromene-3-carbonitrile
Catalog ID
STK783703
SMILES N#CC1=C(OC2=C(C1c1ccc3c(c1)OCO3)C(=O)CC(C2)(C)C)n1cccc1
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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 C23H20N2O4 MW 388.42 g/mol Purity >90% as per NMR
InChI
InChI=1S/C23H20N2O4/c1-23(2)10-16(26)21-19(11-23)29-22(25-7-3-4-8-25)15(12-24)20(21)14-5-6-17-18(9-14)28-13-27-17/h3-9,20H,10-11,13H2,1-2H3InChIKey
OOZVQADKAVEMHG-UHFFFAOYSA-NSynonyms
4(13benzodioxol5yl)77dimethyl5oxo2(1Hpyrrol1yl)5678tetrahydro4Hchromene3carbonitrile
4(13BENZODIOXOL5YL)77DIMETHYL5OXO2PYRROL1YL68DIHYDRO4HCHROMENE3CARBONITRILE
CC1(CC2=C(C(C(=C(O2)N3C=CC=C3)C#N)C4=CC5=C(C=C4)OCO5)C(=O)C1)C
InChI=1SC23H20N2O4c123(2)1016(26)2119(1123)2922(25734825)15(1224)20(21)14561718(914)28132717h3920H101113H212H3
MFCD06618857
ZINC000004751898
ZINC000004751900
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