Vitas-M small molecule compound
2-(2,4-dimethoxyphenyl)-2,3,6,7,11,12-hexahydro-4H,10H-[1,4]dioxepino[2,3-g]pyrido[2,1-a]isoquinolin-4-one
Catalog ID
STL305178
SMILES COc1ccc(c(c1)OC)C1CC(=O)N2C(=C1)c1cc3OCCCOc3cc1CC2
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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 C24H25NO5 MW 407.47 g/mol Purity >90% as per NMR
InChI
InChI=1S/C24H25NO5/c1-27-17-4-5-18(21(13-17)28-2)16-10-20-19-14-23-22(29-8-3-9-30-23)11-15(19)6-7-25(20)24(26)12-16/h4-5,10-11,13-14,16H,3,6-9,12H2,1-2H3InChIKey
YGXDQXJLZCKXRI-UHFFFAOYSA-NSynonyms
879772-21-12(24dimethoxyphenyl)23671112hexahydro(14)dioxepino(23g)pyrido(21a)isoquinolin4(10H)one
2(24dimethoxyphenyl)23671112hexahydro4H10H(14)dioxepino(23g)pyrido(21a)isoquinolin4one
879772211
COC1=CC(=C(C=C1)C2CC(=O)N3CCC4=CC5=C(C=C4C3=C2)OCCCO5)OC
InChI=1SC24H25NO5c127174518(21(1317)282)16102019142322(298393023)1115(19)6725(20)24(26)1216h451011131416H36912H212H3
MFCD07637743
ZINC000004090839
ZINC000004090842
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