Vitas-M small molecule compound
5-{[4-(ethoxycarbonyl)phenyl]carbamoyl}-4-methoxy-6,6-dimethyl-5,6,7,8-tetrahydro[1,3]dioxolo[4,5-g]isoquinolin-6-ium
Catalog ID
STL553030
SMILES CCOC(=O)c1ccc(cc1)NC(=O)C1c2c(CC[N+]1(C)C)cc1c(c2OC)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 C23H27N2O6 MW 427.48 g/mol Purity >90% as per NMR
InChI
InChI=1S/C23H26N2O6/c1-5-29-23(27)14-6-8-16(9-7-14)24-22(26)19-18-15(10-11-25(19,2)3)12-17-20(21(18)28-4)31-13-30-17/h6-9,12,19H,5,10-11,13H2,1-4H3/p+1InChIKey
SPBIBRXNKOQCQB-UHFFFAOYSA-OSynonyms
3798145
5((4(ethoxycarbonyl)phenyl)carbamoyl)4methoxy66dimethyl5678tetrahydro(13)dioxolo(45g)isoquinolin6ium
5((4(ethoxycarbonyl)phenyl)carbamoyl)4methoxy66dimethyl5678tetrahydro(13)dioxolo(45g)isoquinolin6iumiodide
CCOC(=O)c1ccc(cc1)NC(=O)C1c2c(CC(N+)1(C)C)cc1c(c2OC)OCO1(I)
ethyl4((4methoxy66dimethyl78dihydro5~(H)(13)dioxolo(45g)isoquinolin6ium5carbonyl)amino)benzoate
ETHYL4((4METHOXY66DIMETHYL78DIHYDRO5H(13)DIOXOLO(45G)ISOQUINOLIN6IUM5CARBONYL)AMINO)BENZOATE
InChI=1SC23H26N2O6c152923(27)146816(9714)2422(26)191815(101125(192)3)121720(21(18)284)31133017h691219H5101113H214H3p+1
ZINC000009033130
ZINC000009033132
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