Vitas-M small molecule compound
2-(3-bromo-4-hydroxy-5-methoxyphenyl)-9,10-dimethoxy-4-oxo-6,7-dihydro-4H-pyrido[2,1-a]isoquinoline-3-carbonitrile
Catalog ID
STK614884
SMILES COc1cc2c(cc1OC)CCn1c2cc(c2cc(Br)c(c(c2)OC)O)c(c1=O)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 C23H19BrN2O5 MW 483.32 g/mol Purity >90% as per NMR
InChI
InChI=1S/C23H19BrN2O5/c1-29-19-7-12-4-5-26-18(15(12)10-20(19)30-2)9-14(16(11-25)23(26)28)13-6-17(24)22(27)21(8-13)31-3/h6-10,27H,4-5H2,1-3H3InChIKey
JKICPIYEUBKFEZ-UHFFFAOYSA-NSynonyms
2(3bromo4hydroxy5methoxyphenyl)910dimethoxy4oxo67dihydro4Hpyrido(21a)isoquinoline3carbonitrile
2(3bromo4hydroxy5methoxyphenyl)910dimethoxy4oxo67dihydrobenzo(a)quinolizine3carbonitrile
COC1=C(C=C2C(=C1)CCN3C2=CC(=C(C3=O)C#N)C4=CC(=C(C(=C4)Br)O)OC)OC
InChI=1SC23H19BrN2O5c12919712452618(15(12)1020(19)302)914(16(1125)23(26)28)13617(24)22(27)21(813)313h61027H45H213H3
MFCD07642159
ZINC000013592104
ZINC13592104
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