Vitas-M small molecule compound

(3-{[4-(2,3-dimethylphenyl)piperazin-1-yl]sulfonyl}-1-methyl-1H-pyrazol-4-yl)(3,5-dimethyl-1H-pyrazol-1-yl)methanone

Catalog ID
STL073044
SMILES Cn1cc(c(n1)S(=O)(=O)N1CCN(CC1)c1cccc(c1C)C)C(=O)n1nc(cc1C)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 C22H28N6O3S MW 456.57 g/mol Purity >90% as per NMR
InChI
InChI=1S/C22H28N6O3S/c1-15-7-6-8-20(18(15)4)26-9-11-27(12-10-26)32(30,31)21-19(14-25(5)24-21)22(29)28-17(3)13-16(2)23-28/h6-8,13-14H,9-12H2,1-5H3
InChIKey
HWSNNXMYOPORHL-UHFFFAOYSA-N
Synonyms

(3((4(23dimethylphenyl)piperazin1yl)sulfonyl)1methyl1Hpyrazol4yl)(35dimethyl1Hpyrazol1yl)methanone
(3(4(23dimethylphenyl)piperazin1yl)sulfonyl1methylpyrazol4yl)(35dimethylpyrazol1yl)methanone
CC1=C(C(=CC=C1)N2CCN(CC2)S(=O)(=O)C3=NN(C=C3C(=O)N4C(=CC(=N4)C)C)C)C
InChI=1SC22H28N6O3Sc11576820(18(15)4)2691127(121026)32(3031)2119(1425(5)2421)22(29)2817(3)1316(2)2328h681314H912H215H3
MFCD18194679
ZINC000057478123
ZINC57478123

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Available files

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