Vitas-M small molecule compound

N-(1,5-dimethyl-3-oxo-2-phenyl-2,3-dihydro-1H-pyrazol-4-yl)-2-(1,1-dioxido-3-oxo-1,2-benzothiazol-2(3H)-yl)acetamide

Catalog ID
STK187789
SMILES O=C(CN1C(=O)c2c(S1(=O)=O)cccc2)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 C20H18N4O5S MW 426.45 g/mol Purity >90% as per NMR
InChI
InChI=1S/C20H18N4O5S/c1-13-18(20(27)24(22(13)2)14-8-4-3-5-9-14)21-17(25)12-23-19(26)15-10-6-7-11-16(15)30(23,28)29/h3-11H,12H2,1-2H3,(H,21,25)
InChIKey
FGUAFMOQSCSFSL-UHFFFAOYSA-N
Synonyms
54806-85-8
54806858
CC1=C(C(=O)N(N1C)C2=CC=CC=C2)NC(=O)CN3C(=O)C4=CC=CC=C4S3(=O)=O
InChI=1SC20H18N4O5Sc11318(20(27)24(22(13)2)148435914)2117(25)122319(26)1510671116(15)30(2328)29h311H12H212H3(H2125)
MFCD03477163
N(15DIMETHYL3OXO2PHENYL23DIHYDRO1HPYRAZOL4YL)2(11DIOXIDO3OXO12BENZISOTHIAZOL2(3H)YL)ACETAMIDE
N(15DIMETHYL3OXO2PHENYL23DIHYDRO1HPYRAZOL4YL)2(11DIOXIDO3OXO12BENZOTHIAZOL2(3H)YL)ACETAMIDE
N(15DIMETHYL3OXO2PHENYL23DIHYDRO1HPYRAZOL4YL)2(11DIOXIDO3OXOBENZO(D)ISOTHIAZOL2(3H)YL)ACETAMIDE
N(15DIMETHYL3OXO2PHENYLPYRAZOL4YL)2(113TRIOXO12BENZOTHIAZOL2YL)ACETAMIDE
N(23DIMETHYL5OXO1PHENYL(3PYRAZOLIN4YL))2(113TRIOXO(2HYDROBENZO(D)ISOTHIAZOL2YL))ACETAMIDE
ZINC000000639901
ZINC00639901
ZINC639901

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Available files

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