Vitas-M small molecule compound
2-amino-4-[4-(benzyloxy)-3-ethoxyphenyl]-7,7-dimethyl-5-oxo-5,6,7,8-tetrahydro-4H-chromene-3-carbonitrile
Catalog ID
STK520794
SMILES CCOc1cc(ccc1OCc1ccccc1)C1C(=C(N)OC2=C1C(=O)CC(C2)(C)C)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 C27H28N2O4 MW 444.53 g/mol Purity >90% as per NMR
InChI
InChI=1S/C27H28N2O4/c1-4-31-22-12-18(10-11-21(22)32-16-17-8-6-5-7-9-17)24-19(15-28)26(29)33-23-14-27(2,3)13-20(30)25(23)24/h5-12,24H,4,13-14,16,29H2,1-3H3InChIKey
OZKKZZKSCNIQAX-UHFFFAOYSA-NSynonyms
337498-99-42AMINO4(3ETHOXY4PHENYLMETHOXYPHENYL)77DIMETHYL5OXO68DIHYDRO4HCHROMENE3CARBONITRILE
2amino4(4(benzyloxy)3ethoxyphenyl)77dimethyl5oxo5678tetrahydro4Hchromene3carbonitrile
337498994
CCOC1=C(C=CC(=C1)C2C(=C(OC3=C2C(=O)CC(C3)(C)C)N)C#N)OCC4=CC=CC=C4
InChI=1SC27H28N2O4c1431221218(101121(22)3216178657917)2419(1528)26(29)33231427(23)1320(30)25(23)24h51224H413141629H213H3
MFCD01951235
ZINC000000643835
ZINC000000643837
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