Vitas-M small molecule compound
2-amino-4-{3-ethoxy-4-[(4-fluorobenzyl)oxy]-5-iodophenyl}-5-oxo-5,6,7,8-tetrahydro-4H-chromene-3-carbonitrile
Catalog ID
STL379734
SMILES CCOc1cc(cc(c1OCc1ccc(cc1)F)I)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 C25H22FIN2O4 MW 560.36 g/mol Purity >90% as per NMR
InChI
InChI=1S/C25H22FIN2O4/c1-2-31-21-11-15(10-18(27)24(21)32-13-14-6-8-16(26)9-7-14)22-17(12-28)25(29)33-20-5-3-4-19(30)23(20)22/h6-11,22H,2-5,13,29H2,1H3InChIKey
DSBQDXXOMKYODK-UHFFFAOYSA-NSynonyms
2amino4(3ethoxy4((4fluorobenzyl)oxy)5iodophenyl)5oxo5678tetrahydro4Hchromene3carbonitrile
2amino4(3ethoxy4((4fluorophenyl)methoxy)5iodophenyl)5oxo4678tetrahydrochromene3carbonitrile
CCOC1=C(C(=CC(=C1)C2C(=C(OC3=C2C(=O)CCC3)N)C#N)I)OCC4=CC=C(C=C4)F
InChI=1SC25H22FIN2O4c1231211115(1018(27)24(21)3213146816(26)9714)2217(1228)25(29)332053419(30)23(20)22h61122H251329H21H3
MFCD04091244
ZINC000000661052
ZINC000000661054
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