Vitas-M small molecule compound

(E)-[4-(dimethylsulfamoyl)phenyl]{2-(4-methylphenyl)-4,5-dioxo-1-[2-(piperidinium-1-yl)ethyl]pyrrolidin-3-ylidene}methanolate

Catalog ID
STK565301
SMILES Cc1ccc(cc1)C1/C(=C(/c2ccc(cc2)S(=O)(=O)N(C)C)\[O-])/C(=O)C(=O)N1CC[NH+]1CCCCC1

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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 C27H33N3O5S MW 511.64 g/mol Purity >90% as per NMR
InChI
InChI=1S/C27H33N3O5S/c1-19-7-9-20(10-8-19)24-23(25(31)21-11-13-22(14-12-21)36(34,35)28(2)3)26(32)27(33)30(24)18-17-29-15-5-4-6-16-29/h7-14,24,31H,4-6,15-18H2,1-3H3/b25-23+
InChIKey
QCAWVMVPYWZRGL-WJTDDFOZSA-N
Synonyms
371212-87-2
(E)(4(dimethylsulfamoyl)phenyl)(2(4methylphenyl)45dioxo1(2(piperidinium1yl)ethyl)pyrrolidin3ylidene)methanolate
(E)(4(DIMETHYLSULFAMOYL)PHENYL)(2(4METHYLPHENYL)45DIOXO1(2PIPERIDIN1IUM1YLETHYL)PYRROLIDIN3YLIDENE)METHANOLATE
371212872
4((E)HYDROXY(2(4METHYLPHENYL)45DIOXO1(2PIPERIDIN1YLETHYL)PYRROLIDIN3YLIDENE)METHYL)NNDIMETHYLBENZENESULFONAMIDE
CC1=CC=C(C=C1)C2C(=C(C3=CC=C(C=C3)S(=O)(=O)N(C)C)O)C(=O)C(=O)N2CCN4CCCCC4
Cc1ccc(cc1)C1C(=C(c2ccc(cc2)S(=O)(=O)N(C)C)(O))C(=O)C(=O)N1CC(NH+)1CCCCC1
InChI=1SC27H33N3O5Sc1197920(10819)2423(25(31)21111322(141221)36(3435)28(2)3)26(32)27(33)30(24)181729155461629h7142431H461518H213H3b2523+
MFCD18244743
ZINC000008836810
ZINC000008836811

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Available files

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