Vitas-M small molecule compound

N,N'-[1,4,10-trioxa-7,13-diazacyclopentadecane-7,13-diylbis(2-oxo-1-phenylethane-2,1-diyl)]bis(4-methylbenzenesulfonamide)

Catalog ID
STK392337
SMILES Cc1ccc(cc1)S(=O)(=O)NC(C(=O)N1CCOCCN(CCOCCOCC1)C(=O)C(c1ccccc1)NS(=O)(=O)c1ccc(cc1)C)c1ccccc1

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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 C40H48N4O9S2 MW 792.97 g/mol Purity >90% as per NMR
InChI
InChI=1S/C40H48N4O9S2/c1-31-13-17-35(18-14-31)54(47,48)41-37(33-9-5-3-6-10-33)39(45)43-21-25-51-26-22-44(24-28-53-30-29-52-27-23-43)40(46)38(34-11-7-4-8-12-34)42-55(49,50)36-19-15-32(2)16-20-36/h3-20,37-38,41-42H,21-30H2,1-2H3
InChIKey
KSWIMFGEADIIMA-UHFFFAOYSA-N
Synonyms

4methylN(2(13(2((4methylphenyl)sulfonylamino)2phenylacetyl)1410trioxa713diazacyclopentadec7yl)2oxo1phenylethyl)benzenesulfonamide
CC1=CC=C(C=C1)S(=O)(=O)NC(C2=CC=CC=C2)C(=O)N3CCOCCN(CCOCCOCC3)C(=O)C(C4=CC=CC=C4)NS(=O)(=O)C5=CC=C(C=C5)C
InChI=1SC40H48N4O9S2c131131735(181431)54(4748)4137(3395361033)39(45)43212551262244(242853302952272343)40(46)38(34117481234)4255(4950)36191532(2)162036h32037384142H2130H212H3
MFCD00302596
NN(1410trioxa713diazacyclopentadecane713diylbis(2oxo1phenylethane21diyl))bis(4methylbenzenesulfonamide)
ZINC000150386888
ZINC000150386892

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Available files

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