Vitas-M small molecule compound

4-methoxy-6-(2-methoxy-2-oxoethyl)-6-methyl-9-[(2E)-3-(4-nitrophenyl)prop-2-enoyl]-5,6,7,8-tetrahydro[1,3]dioxolo[4,5-g]isoquinolin-6-ium

Catalog ID
STL553022
SMILES COC(=O)C[N+]1(C)CCc2c(C1)c(OC)c1c(c2C(=O)/C=C/c2ccc(cc2)[N+](=O)[O-])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 C24H25N2O8 MW 469.47 g/mol Purity >90% as per NMR
InChI
InChI=1S/C24H25N2O8/c1-26(13-20(28)31-2)11-10-17-18(12-26)22(32-3)24-23(33-14-34-24)21(17)19(27)9-6-15-4-7-16(8-5-15)25(29)30/h4-9H,10-14H2,1-3H3/q+1/b9-6+
InChIKey
WDCOVTZGGYQYCJ-RMKNXTFCSA-N
Synonyms

(E)4methoxy6(2methoxy2oxoethyl)6methyl9(3(4nitrophenyl)acryloyl)5678tetrahydro(13)dioxolo(45g)isoquinolin6iumbromide
4methoxy6(2methoxy2oxoethyl)6methyl9((2E)3(4nitrophenyl)prop2enoyl)5678tetrahydro(13)dioxolo(45g)isoquinolin6ium
6075635
COC(=O)C(N+)1(C)CCc2c(C1)c(OC)c1c(c2C(=O)C=Cc2ccc(cc2)(N+)(=O)(O))OCO1(Br)
InChI=1SC24H25N2O8c126(1320(28)312)11101718(1226)22(323)2423(33143424)21(17)19(27)96154716(8515)25(29)30h49H1014H213H3q+1b96+
methyl2(4methoxy6methyl9((~(E))3(4nitrophenyl)prop2enoyl)78dihydro5~(H)(13)dioxolo(45g)isoquinolin6ium6yl)acetate
METHYL2(4METHOXY6METHYL9((E)3(4NITROPHENYL)PROP2ENOYL)78DIHYDRO5H(13)DIOXOLO(45G)ISOQUINOLIN6IUM6YL)ACETATE
ZINC000252441445
ZINC000252441446
ZINC8817275

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Available files

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