Vitas-M small molecule compound
(2Z)-1-(3,4-diethoxyphenyl)-2-(3,4,9,10-tetrahydro-2H-[1,4]dioxepino[2,3-g]isoquinolin-7(8H)-ylidene)ethanone
Catalog ID
STK578768
SMILES CCOc1cc(ccc1OCC)C(=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 C24H27NO5 MW 409.48 g/mol Purity >90% as per NMR
InChI
InChI=1S/C24H27NO5/c1-3-27-21-7-6-17(13-22(21)28-4-2)20(26)15-19-18-14-24-23(29-10-5-11-30-24)12-16(18)8-9-25-19/h6-7,12-15,25H,3-5,8-11H2,1-2H3/b19-15-InChIKey
HKAKHZNZLHLIRQ-CYVLTUHYSA-NSynonyms
904209-25-2(2Z)1(34diethoxyphenyl)2(2348910hexahydro(14)dioxepino(23g)isoquinolin7ylidene)ethanone
(2Z)1(34diethoxyphenyl)2(34910tetrahydro2H(14)dioxepino(23g)isoquinolin7(8H)ylidene)ethanone
(Z)1(34diethoxyphenyl)2(34910tetrahydro2H(14)dioxepino(23g)isoquinolin7(8H)ylidene)ethanone
904209252
CCOC1=C(C=C(C=C1)C(=O)C=C2C3=CC4=C(C=C3CCN2)OCCCO4)OCC
CCOc1cc(ccc1OCC)C(=O)C=C1NCCc2c1cc1OCCCOc1c2
InChI=1SC24H27NO5c1327217617(1322(21)2842)20(26)151918142423(29105113024)1216(18)892519h67121525H35811H212H3b1915
MFCD07638207
ZINC000005354013
ZINC05354013
ZINC5354013
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