Vitas-M small molecule compound
(E)-[4-(dimethylsulfamoyl)phenyl]{1-[3-(morpholin-4-ium-4-yl)propyl]-4,5-dioxo-2-[4-(propan-2-yl)phenyl]pyrrolidin-3-ylidene}methanolate
Catalog ID
STL044338
SMILES O=C1C(=O)/C(=C(\c2ccc(cc2)S(=O)(=O)N(C)C)/[O-])/C(N1CCC[NH+]1CCOCC1)c1ccc(cc1)C(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 C29H37N3O6S MW 555.70 g/mol Purity >90% as per NMR
InChI
InChI=1S/C29H37N3O6S/c1-20(2)21-6-8-22(9-7-21)26-25(27(33)23-10-12-24(13-11-23)39(36,37)30(3)4)28(34)29(35)32(26)15-5-14-31-16-18-38-19-17-31/h6-13,20,26,33H,5,14-19H2,1-4H3/b27-25+InChIKey
WBGLTLXTMJFLBD-IMVLJIQESA-NSynonyms
(E)(4(dimethylsulfamoyl)phenyl)(1(3(morpholin4ium4yl)propyl)45dioxo2(4(propan2yl)phenyl)pyrrolidin3ylidene)methanolate
(E)(4(DIMETHYLSULFAMOYL)PHENYL)(1(3MORPHOLIN4IUM4YLPROPYL)45DIOXO2(4PROPAN2YLPHENYL)PYRROLIDIN3YLIDENE)METHANOLATE
4((E)HYDROXY(1(3MORPHOLIN4YLPROPYL)45DIOXO2(4PROPAN2YLPHENYL)PYRROLIDIN3YLIDENE)METHYL)NNDIMETHYLBENZENESULFONAMIDE
CC(C)C1=CC=C(C=C1)C2C(=C(C3=CC=C(C=C3)S(=O)(=O)N(C)C)(O))C(=O)C(=O)N2CCC(NH+)4CCOCC4
InChI=1SC29H37N3O6Sc120(2)216822(9721)2625(27(33)23101224(131123)39(3637)30(3)4)28(34)29(35)32(26)1551431161838191731h613202633H51419H214H3b2725+
MFCD18248401
O=C1C(=O)C(=C(c2ccc(cc2)S(=O)(=O)N(C)C)(O))C(N1CCC(NH+)1CCOCC1)c1ccc(cc1)C(C)C
ZINC000102876188
ZINC000102876191
Check stock
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Check stock on Vitas-MAvailable files
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