Vitas-M small molecule compound

N-(1,5-dimethyl-3-oxo-2-phenyl-2,3-dihydro-1H-pyrazol-4-yl)-N~2~-(4-methylphenyl)-N~2~-{[4-(methylsulfanyl)phenyl]sulfonyl}glycinamide

Catalog ID
STL139507
SMILES CSc1ccc(cc1)S(=O)(=O)N(c1ccc(cc1)C)CC(=O)Nc1c(C)n(n(c1=O)c1ccccc1)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 C27H28N4O4S2 MW 536.68 g/mol Purity >90% as per NMR
InChI
InChI=1S/C27H28N4O4S2/c1-19-10-12-21(13-11-19)30(37(34,35)24-16-14-23(36-4)15-17-24)18-25(32)28-26-20(2)29(3)31(27(26)33)22-8-6-5-7-9-22/h5-17H,18H2,1-4H3,(H,28,32)
InChIKey
HAWLEOCVIHOJJT-UHFFFAOYSA-N
Synonyms

CC1=CC=C(C=C1)N(CC(=O)NC2=C(N(N(C2=O)C3=CC=CC=C3)C)C)S(=O)(=O)C4=CC=C(C=C4)SC
InChI=1SC27H28N4O4S2c119101221(131119)30(37(3435)24161423(364)151724)1825(32)282620(2)29(3)31(27(26)33)228657922h517H18H214H3(H2832)
MFCD03068122
N(15DIMETHYL3OXO2PHENYL23DIHYDRO1HPYRAZOL4YL)2(4METHYL((4(METHYLSULFANYL)PHENYL)SULFONYL)ANILINO)ACETAMIDE
N(15dimethyl3oxo2phenyl23dihydro1Hpyrazol4yl)N~2~(4methylphenyl)N~2~((4(methylsulfanyl)phenyl)sulfonyl)glycinamide
N(15DIMETHYL3OXO2PHENYL23DIHYDRO1HPYRAZOL4YL)N2(4METHYLPHENYL)N2((4(METHYLSULFANYL)PHENYL)SULFONYL)GLYCINAMIDE
N(15DIMETHYL3OXO2PHENYLPYRAZOL4YL)2(4METHYLN(4METHYLSULFANYLPHENYL)SULFONYLANILINO)ACETAMIDE
ZINC000000656630
ZINC00656630
ZINC656630

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Available files

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