Vitas-M small molecule compound
1-{4-[(4-methoxy-6-methyl-5,6,7,8-tetrahydro[1,3]dioxolo[4,5-g]isoquinolin-9-yl)sulfonyl]piperazin-1-yl}-3-methylbutan-1-one
Catalog ID
STL523922
SMILES COc1c2CN(C)CCc2c(c2c1OCO2)S(=O)(=O)N1CCN(CC1)C(=O)CC(C)C
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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 C21H31N3O6S MW 453.56 g/mol Purity >90% as per NMR
InChI
InChI=1S/C21H31N3O6S/c1-14(2)11-17(25)23-7-9-24(10-8-23)31(26,27)21-15-5-6-22(3)12-16(15)18(28-4)19-20(21)30-13-29-19/h14H,5-13H2,1-4H3InChIKey
VUKTWUOHUBYUGH-UHFFFAOYSA-NSynonyms
1(4((4methoxy6methyl5678tetrahydro(13)dioxolo(45g)isoquinolin9yl)sulfonyl)piperazin1yl)3methylbutan1one
1(4((4methoxy6methyl78dihydro5~(H)(13)dioxolo(45g)isoquinolin9yl)sulfonyl)piperazin1yl)3methylbutan1one
125428108
InChI=1SC21H31N3O6Sc114(2)1117(25)237924(10823)31(2627)21155622(3)1216(15)18(284)1920(21)30132919h14H513H214H3
MFCD31753350
ZINC000524729496
ZINC524729496
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Check stock on Vitas-MAvailable files
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