Vitas-M small molecule compound
ethyl 4-({[3-cyano-6-(difluoromethyl)-4-(1,5-dimethyl-1H-pyrazol-4-yl)pyridin-2-yl]sulfanyl}methyl)-2-(ethylamino)-1,3-thiazole-5-carboxylate
Catalog ID
STL401040
SMILES CCOC(=O)c1sc(nc1CSc1nc(cc(c1C#N)c1cnn(c1C)C)C(F)F)NCC
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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 C21H22F2N6O2S2 MW 492.57 g/mol Purity >90% as per NMR
InChI
InChI=1S/C21H22F2N6O2S2/c1-5-25-21-28-16(17(33-21)20(30)31-6-2)10-32-19-13(8-24)12(7-15(27-19)18(22)23)14-9-26-29(4)11(14)3/h7,9,18H,5-6,10H2,1-4H3,(H,25,28)InChIKey
LLPULEKOLBGSSM-UHFFFAOYSA-NSynonyms
1006354-94-41006354944
CCNC1=NC(=C(S1)C(=O)OCC)CSC2=C(C(=CC(=N2)C(F)F)C3=C(N(N=C3)C)C)C#N
ethyl4(((3cyano6(difluoromethyl)4(15dimethyl1Hpyrazol4yl)pyridin2yl)sulfanyl)methyl)2(ethylamino)13thiazole5carboxylate
ethyl4((3cyano6(difluoromethyl)4(15dimethylpyrazol4yl)pyridin2yl)sulfanylmethyl)2(ethylamino)13thiazole5carboxylate
InChI=1SC21H22F2N6O2S2c1525212816(17(3321)20(30)3162)10321913(824)12(715(2719)18(22)23)1492629(4)11(14)3h7918H5610H214H3(H2528)
MFCD08557194
ZINC000020607467
ZINC20607467
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