Vitas-M small molecule compound
2-amino-1-(4-fluorophenyl)-4-(3-methoxyphenyl)-5-oxo-1,4,5,6,7,8-hexahydroquinoline-3-carbonitrile
Catalog ID
STL173015
SMILES COc1cccc(c1)C1C(=C(N)N(C2=C1C(=O)CCC2)c1ccc(cc1)F)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 C23H20FN3O2 MW 389.43 g/mol Purity >90% as per NMR
InChI
InChI=1S/C23H20FN3O2/c1-29-17-5-2-4-14(12-17)21-18(13-25)23(26)27(16-10-8-15(24)9-11-16)19-6-3-7-20(28)22(19)21/h2,4-5,8-12,21H,3,6-7,26H2,1H3InChIKey
YPAVHVSMPLLKCN-UHFFFAOYSA-NSynonyms
515121-86-52amino1(4fluorophenyl)4(3methoxyphenyl)5oxo145678hexahydroquinoline3carbonitrile
2amino1(4fluorophenyl)4(3methoxyphenyl)5oxo4678tetrahydroquinoline3carbonitrile
515121865
COC1=CC=CC(=C1)C2C(=C(N(C3=C2C(=O)CCC3)C4=CC=C(C=C4)F)N)C#N
InChI=1SC23H20FN3O2c1291752414(1217)2118(1325)23(26)27(1610815(24)91116)1963720(28)22(19)21h24581221H36726H21H3
MFCD03758127
ZINC000001002428
ZINC000001002429
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