Vitas-M small molecule compound

cyclopropyl{4-[(4-methoxy-6-methyl-5,6,7,8-tetrahydro[1,3]dioxolo[4,5-g]isoquinolin-9-yl)sulfonyl]piperazin-1-yl}methanone

Catalog ID
STL523595
SMILES COc1c2CN(C)CCc2c(c2c1OCO2)S(=O)(=O)N1CCN(CC1)C(=O)C1CC1

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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 C20H27N3O6S MW 437.52 g/mol Purity >90% as per NMR
InChI
InChI=1S/C20H27N3O6S/c1-21-6-5-14-15(11-21)16(27-2)17-18(29-12-28-17)19(14)30(25,26)23-9-7-22(8-10-23)20(24)13-3-4-13/h13H,3-12H2,1-2H3
InChIKey
KPJHLYQZYYIQOE-UHFFFAOYSA-N
Synonyms

125429725
cyclopropyl(4((4methoxy6methyl5678tetrahydro(13)dioxolo(45g)isoquinolin9yl)sulfonyl)piperazin1yl)methanone
cyclopropyl(4((4methoxy6methyl78dihydro5~(H)(13)dioxolo(45g)isoquinolin9yl)sulfonyl)piperazin1yl)methanone
InChI=1SC20H27N3O6Sc121651415(1121)16(272)1718(29122817)19(14)30(2526)239722(81023)20(24)133413h13H312H212H3
MFCD31753027
ZINC000524731112
ZINC524731112

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Available files

Download the SDF, MOL, 3D structure and SDS documents from Vitas-M.