Vitas-M small molecule compound
(E)-{2-(3-chlorophenyl)-1-[2-(morpholin-4-ium-4-yl)ethyl]-4,5-dioxopyrrolidin-3-ylidene}[4-(dimethylsulfamoyl)phenyl]methanolate
Catalog ID
STL045831
SMILES Clc1cccc(c1)C1/C(=C(/c2ccc(cc2)S(=O)(=O)N(C)C)\[O-])/C(=O)C(=O)N1CC[NH+]1CCOCC1
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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 C25H28ClN3O6S MW 534.03 g/mol Purity >90% as per NMR
InChI
InChI=1S/C25H28ClN3O6S/c1-27(2)36(33,34)20-8-6-17(7-9-20)23(30)21-22(18-4-3-5-19(26)16-18)29(25(32)24(21)31)11-10-28-12-14-35-15-13-28/h3-9,16,22,30H,10-15H2,1-2H3/b23-21+InChIKey
RILWBECIBWNCFC-XTQSDGFTSA-NSynonyms
370576-60-6(E)(2(3chlorophenyl)1(2(morpholin4ium4yl)ethyl)45dioxopyrrolidin3ylidene)(4(dimethylsulfamoyl)phenyl)methanolate
(E)(2(3CHLOROPHENYL)1(2MORPHOLIN4IUM4YLETHYL)45DIOXOPYRROLIDIN3YLIDENE)(4(DIMETHYLSULFAMOYL)PHENYL)METHANOLATE
370576606
4((E)(2(3CHLOROPHENYL)1(2MORPHOLIN4YLETHYL)45DIOXOPYRROLIDIN3YLIDENE)HYDROXYMETHYL)NNDIMETHYLBENZENESULFONAMIDE
Clc1cccc(c1)C1C(=C(c2ccc(cc2)S(=O)(=O)N(C)C)(O))C(=O)C(=O)N1CC(NH+)1CCOCC1
CN(C)S(=O)(=O)C1=CC=C(C=C1)C(=C2C(N(C(=O)C2=O)CCN3CCOCC3)C4=CC(=CC=C4)Cl)O
InChI=1SC25H28ClN3O6Sc127(2)36(3334)208617(7920)23(30)2122(1843519(26)1618)29(25(32)24(21)31)111028121435151328h39162230H1015H212H3b2321+
MFCD18248720
ZINC000102878816
ZINC000102878819
Check stock
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Check stock on Vitas-MAvailable files
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