Vitas-M small molecule compound
4-methoxy-6-(2-methoxy-2-oxoethyl)-6-methyl-9-[(2E,4E)-4-methyl-5-phenylpenta-2,4-dienoyl]-5,6,7,8-tetrahydro[1,3]dioxolo[4,5-g]isoquinolin-6-ium
Catalog ID
STL553014
SMILES COC(=O)C[N+]1(C)CCc2c(C1)c(OC)c1c(c2C(=O)/C=C/C(=C/c2ccccc2)/C)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 C27H30NO6 MW 464.54 g/mol Purity >90% as per NMR
InChI
InChI=1S/C27H30NO6/c1-18(14-19-8-6-5-7-9-19)10-11-22(29)24-20-12-13-28(2,16-23(30)31-3)15-21(20)25(32-4)27-26(24)33-17-34-27/h5-11,14H,12-13,15-17H2,1-4H3/q+1/b11-10+,18-14+InChIKey
HHCDCDHNSZJBEJ-NJESZQPCSA-NSynonyms
4methoxy6(2methoxy2oxoethyl)6methyl9((2E4E)4methyl5phenylpenta24dienoyl)5678tetrahydro(13)dioxolo(45g)isoquinolin6ium
4methoxy6(2methoxy2oxoethyl)6methyl9((2E4E)4methyl5phenylpenta24dienoyl)5678tetrahydro(13)dioxolo(45g)isoquinolin6iumbromide
5900237
COC(=O)C(N+)1(C)CCc2c(C1)c(OC)c1c(c2C(=O)C=CC(=Cc2ccccc2)C)OCO1(Br)
InChI=1SC27H30NO6c118(14198657919)101122(29)2420121328(21623(30)313)1521(20)25(324)2726(24)33173427h51114H12131517H214H3q+1b1110+1814+
methyl2(4methoxy6methyl9((2~(E)4~(E))4methyl5phenylpenta24dienoyl)78dihydro5~(H)(13)dioxolo(45g)isoquinolin6ium6yl)acetate
METHYL2(4METHOXY6METHYL9((2E4E)4METHYL5PHENYLPENTA24DIENOYL)78DIHYDRO5H(13)DIOXOLO(45G)ISOQUINOLIN6IUM6YL)ACETATE
ZINC000252441129
ZINC000252441130
ZINC8919221
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