Vitas-M small molecule compound
9-[(2E)-3-(4-chlorophenyl)prop-2-enoyl]-4-methoxy-6-(2-methoxy-2-oxoethyl)-6-methyl-5,6,7,8-tetrahydro[1,3]dioxolo[4,5-g]isoquinolin-6-ium
Catalog ID
STL552974
SMILES COC(=O)C[N+]1(C)CCc2c(C1)c(OC)c1c(c2C(=O)/C=C/c2ccc(cc2)Cl)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 C24H25ClNO6 MW 458.92 g/mol Purity >90% as per NMR
InChI
InChI=1S/C24H25ClNO6/c1-26(13-20(28)29-2)11-10-17-18(12-26)22(30-3)24-23(31-14-32-24)21(17)19(27)9-6-15-4-7-16(25)8-5-15/h4-9H,10-14H2,1-3H3/q+1/b9-6+InChIKey
MJTOTNNEHJOGOI-RMKNXTFCSA-NSynonyms
(E)9(3(4chlorophenyl)acryloyl)4methoxy6(2methoxy2oxoethyl)6methyl5678tetrahydro(13)dioxolo(45g)isoquinolin6iumbromide
5873096
9((2E)3(4chlorophenyl)prop2enoyl)4methoxy6(2methoxy2oxoethyl)6methyl5678tetrahydro(13)dioxolo(45g)isoquinolin6ium
COC(=O)C(N+)1(C)CCc2c(C1)c(OC)c1c(c2C(=O)C=Cc2ccc(cc2)Cl)OCO1(Br)
InChI=1SC24H25ClNO6c126(1320(28)292)11101718(1226)22(303)2423(31143224)21(17)19(27)96154716(25)8515h49H1014H213H3q+1b96+
methyl2(9((~(E))3(4chlorophenyl)prop2enoyl)4methoxy6methyl78dihydro5~(H)(13)dioxolo(45g)isoquinolin6ium6yl)acetate
METHYL2(9((E)3(4CHLOROPHENYL)PROP2ENOYL)4METHOXY6METHYL78DIHYDRO5H(13)DIOXOLO(45G)ISOQUINOLIN6IUM6YL)ACETATE
ZINC000253390461
ZINC000253390465
ZINC8964479
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