Vitas-M small molecule compound
(2E)-3-(3,5-dimethyl-1-phenyl-1H-pyrazol-4-yl)-1-(thiomorpholin-4-yl)prop-2-en-1-one
Catalog ID
STL390386
SMILES O=C(N1CCSCC1)/C=C/c1c(C)nn(c1C)c1ccccc1
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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 C18H21N3OS MW 327.45 g/mol Purity >90% as per NMR
InChI
InChI=1S/C18H21N3OS/c1-14-17(8-9-18(22)20-10-12-23-13-11-20)15(2)21(19-14)16-6-4-3-5-7-16/h3-9H,10-13H2,1-2H3/b9-8+InChIKey
BBYIODQYBNHFGM-CMDGGOBGSA-NSynonyms
514854-58-1(2E)3(35dimethyl1phenyl1Hpyrazol4yl)1(thiomorpholin4yl)prop2en1one
(E)3(35DIMETHYL1PHENYLPYRAZOL4YL)1THIOMORPHOLIN4YLPROP2EN1ONE
4(3(35DIMETHYL1PHENYL1HPYRAZOL4YL)ACRYLOYL)THIOMORPHOLINE
514854581
CC1=C(C(=NN1C2=CC=CC=C2)C)C=CC(=O)N3CCSCC3
InChI=1SC18H21N3OSc11417(8918(22)20101223131120)15(2)21(1914)166435716h39H1013H212H3b98+
MFCD03757826
O=C(N1CCSCC1)C=Cc1c(C)nn(c1C)c1ccccc1
ZINC000000999949
ZINC00999949
ZINC999949
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