Vitas-M small molecule compound
2-amino-1-(2,5-dimethoxyphenyl)-4-(3-hydroxy-4-methoxyphenyl)-5-oxo-1,4,5,6,7,8-hexahydroquinoline-3-carbonitrile
Catalog ID
STK760952
SMILES COc1ccc(c(c1)N1C(=C(C#N)C(C2=C1CCCC2=O)c1ccc(c(c1)O)OC)N)OC
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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 C25H25N3O5 MW 447.49 g/mol Purity >90% as per NMR
InChI
InChI=1S/C25H25N3O5/c1-31-15-8-10-21(32-2)18(12-15)28-17-5-4-6-19(29)24(17)23(16(13-26)25(28)27)14-7-9-22(33-3)20(30)11-14/h7-12,23,30H,4-6,27H2,1-3H3InChIKey
ZCCNAWLBIWNSLD-UHFFFAOYSA-NSynonyms
2amino1(25dimethoxyphenyl)4(3hydroxy4methoxyphenyl)5oxo145678hexahydroquinoline3carbonitrile
2amino1(25dimethoxyphenyl)4(3hydroxy4methoxyphenyl)5oxo4678tetrahydroquinoline3carbonitrile
COC1=CC(=C(C=C1)OC)N2C3=C(C(C(=C2N)C#N)C4=CC(=C(C=C4)OC)O)C(=O)CCC3
InChI=1SC25H25N3O5c1311581021(322)18(1215)281754619(29)24(17)23(16(1326)25(28)27)147922(333)20(30)1114h7122330H4627H213H3
MFCD01820147
ZINC000001064711
ZINC000001064712
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