Vitas-M small molecule compound
[3-(azepan-1-ylsulfonyl)-4-chlorophenyl](3,5-dimethyl-1H-pyrazol-1-yl)methanone
Catalog ID
STK807852
SMILES Cc1nn(c(c1)C)C(=O)c1ccc(c(c1)S(=O)(=O)N1CCCCCC1)Cl
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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 C18H22ClN3O3S MW 395.91 g/mol Purity >90% as per NMR
InChI
InChI=1S/C18H22ClN3O3S/c1-13-11-14(2)22(20-13)18(23)15-7-8-16(19)17(12-15)26(24,25)21-9-5-3-4-6-10-21/h7-8,11-12H,3-6,9-10H2,1-2H3InChIKey
NNHDQNBPKUCXFD-UHFFFAOYSA-NSynonyms
956569-50-9(3(azepan1ylsulfonyl)4chlorophenyl)(35dimethyl1Hpyrazol1yl)methanone
(3(AZEPAN1YLSULFONYL)4CHLOROPHENYL)(35DIMETHYLPYRAZOL1YL)METHANONE
3(AZAPERHYDROEPINYLSULFONYL)4CHLOROPHENYL35DIMETHYLPYRAZOLYLKETONE
956569509
CC1=CC(=NN1C(=O)C2=CC(=C(C=C2)Cl)S(=O)(=O)N3CCCCCC3)C
InChI=1SC18H22ClN3O3Sc1131114(2)22(2013)18(23)157816(19)17(1215)26(2425)21953461021h781112H36910H212H3
MFCD06407558
ZINC000004942374
ZINC04942374
ZINC4942374
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