Vitas-M small molecule compound

9-[(2E)-3-(2-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
STL553000
SMILES COC(=O)C[N+]1(C)CCc2c(C1)c(OC)c1c(c2C(=O)/C=C/c2ccccc2Cl)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)11-10-16-17(12-26)22(30-3)24-23(31-14-32-24)21(16)19(27)9-8-15-6-4-5-7-18(15)25/h4-9H,10-14H2,1-3H3/q+1/b9-8+
InChIKey
IEBZRJKCARFFRJ-CMDGGOBGSA-N
Synonyms

(E)9(3(2chlorophenyl)acryloyl)4methoxy6(2methoxy2oxoethyl)6methyl5678tetrahydro(13)dioxolo(45g)isoquinolin6iumbromide
5909238
9((2E)3(2chlorophenyl)prop2enoyl)4methoxy6(2methoxy2oxoethyl)6methyl5678tetrahydro(13)dioxolo(45g)isoquinolin6ium
COC(=O)C(N+)1(C)CCc2c(C1)c(OC)c1c(c2C(=O)C=Cc2ccccc2Cl)OCO1(Br)
InChI=1SC24H25ClNO6c126(1320(28)292)11101617(1226)22(303)2423(31143224)21(16)19(27)9815645718(15)25h49H1014H213H3q+1b98+
methyl2(9((~(E))3(2chlorophenyl)prop2enoyl)4methoxy6methyl78dihydro5~(H)(13)dioxolo(45g)isoquinolin6ium6yl)acetate
METHYL2(9((E)3(2CHLOROPHENYL)PROP2ENOYL)4METHOXY6METHYL78DIHYDRO5H(13)DIOXOLO(45G)ISOQUINOLIN6IUM6YL)ACETATE
ZINC000252441144
ZINC000252441145
ZINC8817000

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Available files

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