Vitas-M small molecule compound
2-(3-bromo-4-hydroxy-5-methoxyphenyl)-4-imino-6,7-dihydro-4H-[1,3]dioxolo[4,5-g]pyrido[2,1-a]isoquinoline-3-carbonitrile
Catalog ID
STK595229
SMILES COc1cc(cc(c1O)Br)c1cc2c3cc4OCOc4cc3CCn2c(=N)c1C#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 C22H16BrN3O4 MW 466.29 g/mol Purity >90% as per NMR
InChI
InChI=1S/C22H16BrN3O4/c1-28-20-6-12(4-16(23)21(20)27)13-7-17-14-8-19-18(29-10-30-19)5-11(14)2-3-26(17)22(25)15(13)9-24/h4-8,25,27H,2-3,10H2,1H3/b25-22-InChIKey
YNTKVNUCGRPZJW-LVWGJNHUSA-NSynonyms
883958-98-32(3bromo4hydroxy5methoxyphenyl)4imino67dihydro4H(13)dioxolo(45g)pyrido(21a)isoquinoline3carbonitrile
883958983
MFCD06784824
ZINC000101349542
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