Vitas-M small molecule compound

4-chloro-N'-[({1-[(4-methylphenyl)sulfonyl]-5-oxopyrrolidin-2-yl}carbonyl)oxy]benzenecarboximidamide

Catalog ID
STK323028
SMILES Cc1ccc(cc1)S(=O)(=O)N1C(=O)CCC1C(=O)O/N=C(\c1ccc(cc1)Cl)/N

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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 C19H18ClN3O5S MW 435.89 g/mol Purity >90% as per NMR
InChI
InChI=1S/C19H18ClN3O5S/c1-12-2-8-15(9-3-12)29(26,27)23-16(10-11-17(23)24)19(25)28-22-18(21)13-4-6-14(20)7-5-13/h2-9,16H,10-11H2,1H3,(H2,21,22)
InChIKey
XAAKBJZBJRHORA-UHFFFAOYSA-N
Synonyms

((AMINO(4CHLOROPHENYL)METHYLIDENE)AMINO)1(4METHYLPHENYL)SULFONYL5OXOPYRROLIDINE2CARBOXYLATE
((E)(AMINO(4CHLOROPHENYL)METHYLIDENE)AMINO)1(4METHYLPHENYL)SULFONYL5OXOPYRROLIDINE2CARBOXYLATE
4CHLORON((((2R)1((4METHYLPHENYL)SULFONYL)5OXOPYRROLIDIN2YL)CARBONYL)OXY)BENZENECARBOXIMIDAMIDE
4CHLORON((((2S)1((4METHYLPHENYL)SULFONYL)5OXOPYRROLIDIN2YL)CARBONYL)OXY)BENZENECARBOXIMIDAMIDE
4chloroN(((1((4methylphenyl)sulfonyl)5oxopyrrolidin2yl)carbonyl)oxy)benzenecarboximidamide
CC1=CC=C(C=C1)S(=O)(=O)N2C(CCC2=O)C(=O)ON=C(C3=CC=C(C=C3)Cl)N
Cc1ccc(cc1)S(=O)(=O)N1C(=O)CCC1C(=O)ON=C(c1ccc(cc1)Cl)N
InChI=1SC19H18ClN3O5Sc1122815(9312)29(2627)2316(101117(23)24)19(25)282218(21)134614(20)7513h2916H1011H21H3(H22122)
MFCD10465650
ZINC000012655342
ZINC000012655346

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Available files

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