Vitas-M small molecule compound
(5Z)-5-{[3,5-dimethyl-1-(3-methyl-1,1-dioxidotetrahydrothiophen-3-yl)-1H-pyrazol-4-yl]methylidene}-4-[(4-fluorophenyl)amino]-1,3-thiazol-2(5H)-one
Catalog ID
STL243787
SMILES O=C1S/C(=C\c2c(C)nn(c2C)C2(C)CCS(=O)(=O)C2)/C(=N1)Nc1ccc(cc1)F
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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 C20H21FN4O3S2 MW 448.54 g/mol Purity >90% as per NMR
InChI
InChI=1S/C20H21FN4O3S2/c1-12-16(13(2)25(24-12)20(3)8-9-30(27,28)11-20)10-17-18(23-19(26)29-17)22-15-6-4-14(21)5-7-15/h4-7,10H,8-9,11H2,1-3H3,(H,22,23,26)/b17-10-InChIKey
GKTNRZBMKHIMDE-YVLHZVERSA-NSynonyms
1351706-25-6(5Z)5((35dimethyl1(3methyl11dioxidotetrahydrothiophen3yl)1Hpyrazol4yl)methylidene)4((4fluorophenyl)amino)13thiazol2(5H)one
(5Z)5((35dimethyl1(3methyl11dioxothiolan3yl)pyrazol4yl)methylidene)4(4fluoroanilino)13thiazol2one
(Z)5((35dimethyl1(3methyl11dioxidotetrahydrothiophen3yl)1Hpyrazol4yl)methylene)4((4fluorophenyl)amino)thiazol2(5H)one
1351706256
CC1=C(C(=NN1C2(CCS(=O)(=O)C2)C)C)C=C3C(=NC(=O)S3)NC4=CC=C(C=C4)F
InChI=1SC20H21FN4O3S2c11216(13(2)25(2412)20(3)8930(2728)1120)101718(2319(26)2917)22156414(21)5715h4710H8911H213H3(H222326)b1710
MFCD20536966
O=C1SC(=Cc2c(C)nn(c2C)C2(C)CCS(=O)(=O)C2)C(=N1)Nc1ccc(cc1)F
ZINC000072401912
ZINC000072401913
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