Vitas-M small molecule compound
(3E)-1-(4-methoxy-6-methyl-5,6,7,8-tetrahydro[1,3]dioxolo[4,5-g]isoquinolin-5-yl)-3-methyl-4-(2,6,6-trimethylcyclohex-2-en-1-yl)but-3-en-2-one
Catalog ID
STL526113
SMILES COc1c2c(CCN(C2CC(=O)/C(=C/C2C(=CCCC2(C)C)C)/C)C)cc2c1OCO2
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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 C26H35NO4 MW 425.57 g/mol Purity >90% as per NMR
InChI
InChI=1S/C26H35NO4/c1-16-8-7-10-26(3,4)19(16)12-17(2)21(28)14-20-23-18(9-11-27(20)5)13-22-24(25(23)29-6)31-15-30-22/h8,12-13,19-20H,7,9-11,14-15H2,1-6H3/b17-12+InChIKey
SSFGQCRZUFDDEM-SFQUDFHCSA-NSynonyms
(~(E))1(4methoxy6methyl78dihydro5~(H)(13)dioxolo(45g)isoquinolin5yl)3methyl4(266trimethylcyclohex2en1yl)but3en2one
(3E)1(4methoxy6methyl5678tetrahydro(13)dioxolo(45g)isoquinolin5yl)3methyl4(266trimethylcyclohex2en1yl)but3en2one
(E)1(4methoxy6methyl5678tetrahydro(13)dioxolo(45g)isoquinolin5yl)3methyl4(266trimethylcyclohex2en1yl)but3en2one
(E)1(4METHOXY6METHYL78DIHYDRO5H(13)DIOXOLO(45G)ISOQUINOLIN5YL)3METHYL4(266TRIMETHYLCYCLOHEX2EN1YL)BUT3EN2ONE
5896670
COc1c2c(CCN(C2CC(=O)C(=CC2C(=CCCC2(C)C)C)C)C)cc2c1OCO2
InChI=1SC26H35NO4c116871026(34)19(16)1217(2)21(28)14202318(91127(20)5)132224(25(23)296)31153022h812131920H79111415H216H3b1712+
MFCD02114938
ZINC000004028209
ZINC000095344622
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