Vitas-M small molecule compound

methyl 4-oxo-4-({[4-(pyrrolidin-1-ylsulfonyl)phenyl]carbamothioyl}amino)butanoate

Catalog ID
STL062495
SMILES COC(=O)CCC(=O)NC(=S)Nc1ccc(cc1)S(=O)(=O)N1CCCC1

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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 C16H21N3O5S2 MW 399.49 g/mol Purity >90% as per NMR
InChI
InChI=1S/C16H21N3O5S2/c1-24-15(21)9-8-14(20)18-16(25)17-12-4-6-13(7-5-12)26(22,23)19-10-2-3-11-19/h4-7H,2-3,8-11H2,1H3,(H2,17,18,20,25)
InChIKey
MGLUYFCSKKVVLG-UHFFFAOYSA-N
Synonyms
642943-65-5
642943655
COC(=O)CCC(=O)NC(=S)NC1=CC=C(C=C1)S(=O)(=O)N2CCCC2
InChI=1SC16H21N3O5S2c12415(21)9814(20)1816(25)17124613(7512)26(2223)1910231119h47H23811H21H3(H217182025)
methyl4oxo4(((4(pyrrolidin1ylsulfonyl)phenyl)carbamothioyl)amino)butanoate
METHYL4OXO4((4PYRROLIDIN1YLSULFONYLPHENYL)CARBAMOTHIOYLAMINO)BUTANOATE
METHYL4OXO4(3(4(PYRROLIDIN1YLSULFONYL)PHENYL)THIOUREIDO)BUTANOATE
MFCD03586649
ZINC000002551737
ZINC02551737
ZINC2551737

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Available files

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