Vitas-M small molecule compound
[4-(4-chlorophenyl)-4-hydroxypiperidin-1-yl][1-(1,1-dioxidotetrahydrothiophen-3-yl)-3,5-dimethyl-1H-pyrazol-4-yl]methanone
Catalog ID
STL314780
SMILES Clc1ccc(cc1)C1(O)CCN(CC1)C(=O)c1c(C)nn(c1C)C1CCS(=O)(=O)C1
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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 C21H26ClN3O4S MW 451.97 g/mol Purity >90% as per NMR
InChI
InChI=1S/C21H26ClN3O4S/c1-14-19(15(2)25(23-14)18-7-12-30(28,29)13-18)20(26)24-10-8-21(27,9-11-24)16-3-5-17(22)6-4-16/h3-6,18,27H,7-13H2,1-2H3InChIKey
DBSCVHPSTYIUGX-UHFFFAOYSA-NSynonyms
1401557-53-6(4(4chlorophenyl)4hydroxypiperidin1yl)(1(11dioxidotetrahydrothiophen3yl)35dimethyl1Hpyrazol4yl)methanone
(4(4chlorophenyl)4hydroxypiperidin1yl)(1(11dioxothiolan3yl)35dimethylpyrazol4yl)methanone
1401557536
CC1=C(C(=NN1C2CCS(=O)(=O)C2)C)C(=O)N3CCC(CC3)(C4=CC=C(C=C4)Cl)O
InChI=1SC21H26ClN3O4Sc11419(15(2)25(2314)1871230(2829)1318)20(26)2410821(2791124)163517(22)6416h361827H713H212H3
MFCD22583043
ZINC000079480274
ZINC000079480276
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