Vitas-M small molecule compound

4-[(E)-{4,5-dioxo-1-[2-(piperidin-1-yl)ethyl]-2-(pyridin-3-yl)pyrrolidin-3-ylidene}(hydroxy)methyl]-N,N-dimethylbenzenesulfonamide

Catalog ID
STK543721
SMILES O/C(=C\1/C(=O)C(=O)N(C1c1cccnc1)CCN1CCCCC1)/c1ccc(cc1)S(=O)(=O)N(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 C25H30N4O5S MW 498.60 g/mol Purity >90% as per NMR
InChI
InChI=1S/C25H30N4O5S/c1-27(2)35(33,34)20-10-8-18(9-11-20)23(30)21-22(19-7-6-12-26-17-19)29(25(32)24(21)31)16-15-28-13-4-3-5-14-28/h6-12,17,22,30H,3-5,13-16H2,1-2H3/b23-21+
InChIKey
JWUSEUQQZRFVDJ-XTQSDGFTSA-N
Synonyms
370868-69-2
370868692
4((4HYDROXY5OXO1(2(1PIPERIDINYL)ETHYL)2(3PYRIDINYL)25DIHYDRO1HPYRROL3YL)CARBONYL)NNDIMETHYLBENZENESULFONAMIDE
4((E)(45dioxo1(2(piperidin1yl)ethyl)2(pyridin3yl)pyrrolidin3ylidene)(hydroxy)methyl)NNdimethylbenzenesulfonamide
4((E)(45DIOXO1(2PIPERIDIN1YLETHYL)2PYRIDIN3YLPYRROLIDIN3YLIDENE)HYDROXYMETHYL)NNDIMETHYLBENZENESULFONAMIDE
CN(C)S(=O)(=O)C1=CC=C(C=C1)C(=C2C(N(C(=O)C2=O)CCN3CCCCC3)C4=CN=CC=C4)O
InChI=1SC25H30N4O5Sc127(2)35(3334)2010818(91120)23(30)2122(197612261719)29(25(32)24(21)31)161528134351428h612172230H351316H212H3b2321+
MFCD08735192
OC(=C1C(=O)C(=O)N(C1c1cccnc1)CCN1CCCCC1)c1ccc(cc1)S(=O)(=O)N(C)C
ZINC000102436357
ZINC000102436361

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Available files

Download the SDF, MOL, 3D structure and SDS documents from Vitas-M.