Vitas-M small molecule compound
(2E)-3-(4-butoxyphenyl)-1-(4-methoxy-6-methyl-5,6,7,8-tetrahydro[1,3]dioxolo[4,5-g]isoquinolin-9-yl)prop-2-en-1-one
Catalog ID
STL513592
SMILES CCCCOc1ccc(cc1)/C=C/C(=O)c1c2CCN(Cc2c(c2c1OCO2)OC)C
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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 C25H29NO5 MW 423.51 g/mol Purity >90% as per NMR
InChI
InChI=1S/C25H29NO5/c1-4-5-14-29-18-9-6-17(7-10-18)8-11-21(27)22-19-12-13-26(2)15-20(19)23(28-3)25-24(22)30-16-31-25/h6-11H,4-5,12-16H2,1-3H3/b11-8+InChIKey
BYFUYEWBSXPNFZ-DHZHZOJOSA-NSynonyms
370584-38-6(~(E))3(4butoxyphenyl)1(4methoxy6methyl78dihydro5~(H)(13)dioxolo(45g)isoquinolin9yl)prop2en1one
(2E)3(4butoxyphenyl)1(4methoxy6methyl5678tetrahydro(13)dioxolo(45g)isoquinolin9yl)prop2en1one
(E)3(4butoxyphenyl)1(4methoxy6methyl5678tetrahydro(13)dioxolo(45g)isoquinolin9yl)prop2en1one
(E)3(4BUTOXYPHENYL)1(4METHOXY6METHYL78DIHYDRO5H(13)DIOXOLO(45G)ISOQUINOLIN9YL)PROP2EN1ONE
370584386
5864270
CCCCOc1ccc(cc1)C=CC(=O)c1c2CCN(Cc2c(c2c1OCO2)OC)C
InChI=1SC25H29NO5c1451429189617(71018)81121(27)2219121326(2)1520(19)23(283)2524(22)30163125h611H451216H213H3b118+
MFCD03006120
ZINC000020112759
ZINC20112759
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