Vitas-M small molecule compound

2-(4-methyl-3-nitrophenyl)-2-oxoethyl N-[(4-methylphenyl)sulfonyl]glycylglycinate

Catalog ID
STK328308
SMILES O=C(OCC(=O)c1ccc(c(c1)[N+](=O)[O-])C)CNC(=O)CNS(=O)(=O)c1ccc(cc1)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 C20H21N3O8S MW 463.47 g/mol Purity >90% as per NMR
InChI
InChI=1S/C20H21N3O8S/c1-13-3-7-16(8-4-13)32(29,30)22-10-19(25)21-11-20(26)31-12-18(24)15-6-5-14(2)17(9-15)23(27)28/h3-9,22H,10-12H2,1-2H3,(H,21,25)
InChIKey
ZLNJHPSICBCPQE-UHFFFAOYSA-N
Synonyms
667439-33-0
(2(4METHYL3NITROPHENYL)2OXOETHYL)2((2((4METHYLPHENYL)SULFONYLAMINO)ACETYL)AMINO)ACETATE
2(4METHYL3NITROPHENYL)2OXOETHYLN((4METHYLPHENYL)SULFONYL)GLYCYLGLYCINATE
667439330
CC1=CC=C(C=C1)S(=O)(=O)NCC(=O)NCC(=O)OCC(=O)C2=CC(=C(C=C2)C)(N+)(=O)(O)
InChI=1SC20H21N3O8Sc1133716(8413)32(2930)221019(25)211120(26)311218(24)156514(2)17(915)23(27)28h3922H1012H212H3(H2125)
MFCD03917309
O=C(OCC(=O)c1ccc(c(c1)(N+)(=O)(O))C)CNC(=O)CNS(=O)(=O)c1ccc(cc1)C
ZINC000010039942
ZINC10039942

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Available files

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