Vitas-M small molecule compound
4-methoxy-6-(2-methoxy-2-oxoethyl)-9-[(2E)-3-(3-methoxyphenyl)prop-2-enoyl]-6-methyl-5,6,7,8-tetrahydro[1,3]dioxolo[4,5-g]isoquinolin-6-ium
Catalog ID
STL552962
SMILES COC(=O)C[N+]1(C)CCc2c(C1)c(OC)c1c(c2C(=O)/C=C/c2cccc(c2)OC)OCO1
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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 C25H28NO7 MW 454.50 g/mol Purity >90% as per NMR
InChI
InChI=1S/C25H28NO7/c1-26(14-21(28)30-3)11-10-18-19(13-26)23(31-4)25-24(32-15-33-25)22(18)20(27)9-8-16-6-5-7-17(12-16)29-2/h5-9,12H,10-11,13-15H2,1-4H3/q+1/b9-8+InChIKey
PUHLJWSHZZYPOK-CMDGGOBGSA-NSynonyms
(E)4methoxy6(2methoxy2oxoethyl)9(3(3methoxyphenyl)acryloyl)6methyl5678tetrahydro(13)dioxolo(45g)isoquinolin6iumbromide
4methoxy6(2methoxy2oxoethyl)9((2E)3(3methoxyphenyl)prop2enoyl)6methyl5678tetrahydro(13)dioxolo(45g)isoquinolin6ium
5794372
COC(=O)C(N+)1(C)CCc2c(C1)c(OC)c1c(c2C(=O)C=Cc2cccc(c2)OC)OCO1(Br)
InChI=1SC25H28NO7c126(1421(28)303)11101819(1326)23(314)2524(32153325)22(18)20(27)981665717(1216)292h5912H10111315H214H3q+1b98+
methyl2(4methoxy9((~(E))3(3methoxyphenyl)prop2enoyl)6methyl78dihydro5~(H)(13)dioxolo(45g)isoquinolin6ium6yl)acetate
METHYL2(4METHOXY9((E)3(3METHOXYPHENYL)PROP2ENOYL)6METHYL78DIHYDRO5H(13)DIOXOLO(45G)ISOQUINOLIN6IUM6YL)ACETATE
ZINC000252441318
ZINC000252441319
ZINC9042509
Check stock
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