Vitas-M small molecule compound
(3Z)-1-(2,4-dimethoxyphenyl)-3-(3,4,9,10-tetrahydro-2H-[1,4]dioxepino[2,3-g]isoquinolin-7(8H)-ylidene)propan-2-one
Catalog ID
STL515869
SMILES COc1ccc(c(c1)OC)CC(=O)/C=C/1\NCCc2c1cc1OCCCOc1c2
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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 C23H25NO5 MW 395.46 g/mol Purity >90% as per NMR
InChI
InChI=1S/C23H25NO5/c1-26-18-5-4-16(21(13-18)27-2)10-17(25)12-20-19-14-23-22(28-8-3-9-29-23)11-15(19)6-7-24-20/h4-5,11-14,24H,3,6-10H2,1-2H3/b20-12-InChIKey
HVBUMURYPIQGDD-NDENLUEZSA-NSynonyms
883951-33-5(3~(Z))1(24dimethoxyphenyl)3(2348910hexahydro(14)dioxepino(23g)isoquinolin7ylidene)propan2one
(3Z)1(24dimethoxyphenyl)3(34910tetrahydro2H(14)dioxepino(23g)isoquinolin7(8H)ylidene)propan2one
(Z)1(24dimethoxyphenyl)3(34910tetrahydro2H(14)dioxepino(23g)isoquinolin7(8H)ylidene)propan2one
16405870
883951335
COc1ccc(c(c1)OC)CC(=O)C=C1NCCc2c1cc1OCCCOc1c2
InChI=1SC23H25NO5c126185416(21(1318)272)1017(25)122019142322(288392923)1115(19)672420h45111424H3610H212H3b2012
MFCD07637271
ZINC000004090410
ZINC4090410
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