Vitas-M small molecule compound
2-(4,5-dichloro-1H-imidazol-1-yl)-1-{4-[(4-methoxy-6-methyl-5,6,7,8-tetrahydro[1,3]dioxolo[4,5-g]isoquinolin-9-yl)sulfonyl]piperazin-1-yl}ethanone
Catalog ID
STL523388
SMILES COc1c2CN(C)CCc2c(c2c1OCO2)S(=O)(=O)N1CCN(CC1)C(=O)Cn1cnc(c1Cl)Cl
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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 C21H25Cl2N5O6S MW 546.43 g/mol Purity >90% as per NMR
InChI
InChI=1S/C21H25Cl2N5O6S/c1-25-4-3-13-14(9-25)16(32-2)17-18(34-12-33-17)19(13)35(30,31)28-7-5-26(6-8-28)15(29)10-27-11-24-20(22)21(27)23/h11H,3-10,12H2,1-2H3InChIKey
TVWYXWGHIIJYOB-UHFFFAOYSA-NSynonyms
125428045
2(45dichloro1Himidazol1yl)1(4((4methoxy6methyl5678tetrahydro(13)dioxolo(45g)isoquinolin9yl)sulfonyl)piperazin1yl)ethanone
2(45dichloroimidazol1yl)1(4((4methoxy6methyl78dihydro5~(H)(13)dioxolo(45g)isoquinolin9yl)sulfonyl)piperazin1yl)ethanone
InChI=1SC21H25Cl2N5O6Sc125431314(925)16(322)1718(34123317)19(13)35(3031)287526(6828)15(29)1027112420(22)21(27)23h11H31012H212H3
MFCD31752821
ZINC000524729433
ZINC524729433
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