Vitas-M small molecule compound
(E)-[4-(dimethylsulfamoyl)phenyl]{2-(4-fluorophenyl)-4,5-dioxo-1-[2-(piperidinium-1-yl)ethyl]pyrrolidin-3-ylidene}methanolate
Catalog ID
STL149979
SMILES Fc1ccc(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 C26H30FN3O5S MW 515.61 g/mol Purity >90% as per NMR
InChI
InChI=1S/C26H30FN3O5S/c1-28(2)36(34,35)21-12-8-19(9-13-21)24(31)22-23(18-6-10-20(27)11-7-18)30(26(33)25(22)32)17-16-29-14-4-3-5-15-29/h6-13,23,31H,3-5,14-17H2,1-2H3/b24-22+InChIKey
NBKUHIUUFPUTDN-ZNTNEXAZSA-NSynonyms
371207-91-9(E)(4(dimethylsulfamoyl)phenyl)(2(4fluorophenyl)45dioxo1(2(piperidinium1yl)ethyl)pyrrolidin3ylidene)methanolate
(E)(4(DIMETHYLSULFAMOYL)PHENYL)(2(4FLUOROPHENYL)45DIOXO1(2PIPERIDIN1IUM1YLETHYL)PYRROLIDIN3YLIDENE)METHANOLATE
371207919
4((E)(2(4FLUOROPHENYL)45DIOXO1(2PIPERIDIN1YLETHYL)PYRROLIDIN3YLIDENE)HYDROXYMETHYL)NNDIMETHYLBENZENESULFONAMIDE
CN(C)S(=O)(=O)C1=CC=C(C=C1)C(=C2C(N(C(=O)C2=O)CCN3CCCCC3)C4=CC=C(C=C4)F)O
Fc1ccc(cc1)C1C(=C(c2ccc(cc2)S(=O)(=O)N(C)C)(O))C(=O)C(=O)N1CC(NH+)1CCCCC1
InChI=1SC26H30FN3O5Sc128(2)36(3435)2112819(91321)24(31)2223(1861020(27)11718)30(26(33)25(22)32)171629144351529h6132331H351417H212H3b2422+
MFCD20755713
ZINC000102930454
ZINC000102930457
Check stock
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Check stock on Vitas-MAvailable files
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