Vitas-M small molecule compound
ethyl (2Z)-2-[3-({[3-cyano-6-(difluoromethyl)-4-methylpyridin-2-yl]sulfanyl}methyl)-4-methoxybenzylidene]-5-(4-fluorophenyl)-7-methyl-3-oxo-2,3-dihydro-5H-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxylate
Catalog ID
STL173677
SMILES CCOC(=O)C1=C(C)N=c2n(C1c1ccc(cc1)F)c(=O)/c(=C/c1ccc(c(c1)CSc1nc(cc(c1C#N)C)C(F)F)OC)/s2
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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 C33H27F3N4O4S2 MW 664.73 g/mol Purity >90% as per NMR
InChI
InChI=1S/C33H27F3N4O4S2/c1-5-44-32(42)27-18(3)38-33-40(28(27)20-7-9-22(34)10-8-20)31(41)26(46-33)14-19-6-11-25(43-4)21(13-19)16-45-30-23(15-37)17(2)12-24(39-30)29(35)36/h6-14,28-29H,5,16H2,1-4H3/b26-14-InChIKey
KCUNCRISXGIODP-WGARJPEWSA-NSynonyms
445244-91-7445244917
CCOC(=O)C1=C(C)N=c2n(C1c1ccc(cc1)F)c(=O)c(=Cc1ccc(c(c1)CSc1nc(cc(c1C#N)C)C(F)F)OC)s2
CCOC(=O)C1=C(N=C2N(C1C3=CC=C(C=C3)F)C(=O)C(=CC4=CC(=C(C=C4)OC)CSC5=C(C(=CC(=N5)C(F)F)C)C#N)S2)C
ETHYL(2Z)2((3((3CYANO6(DIFLUOROMETHYL)4METHYLPYRIDIN2YL)SULFANYLMETHYL)4METHOXYPHENYL)METHYLIDENE)5(4FLUOROPHENYL)7METHYL3OXO5H(13)THIAZOLO(32A)PYRIMIDINE6CARBOXYLATE
ethyl(2Z)2(3(((3cyano6(difluoromethyl)4methylpyridin2yl)sulfanyl)methyl)4methoxybenzylidene)5(4fluorophenyl)7methyl3oxo23dihydro5H(13)thiazolo(32a)pyrimidine6carboxylate
ETHYL2(3(((3CYANO6(DIFLUOROMETHYL)4METHYL2PYRIDINYL)SULFANYL)METHYL)4METHOXYBENZYLIDENE)5(4FLUOROPHENYL)7METHYL3OXO23DIHYDRO5H(13)THIAZOLO(32A)PYRIMIDINE6CARBOXYLATE
InChI=1SC33H27F3N4O4S2c154432(42)2718(3)383340(28(27)207922(34)10820)31(41)26(4633)141961125(434)21(1319)16453023(1537)17(2)1224(3930)29(35)36h6142829H516H214H3b2614
MFCD02243450
ZINC000008450873
ZINC000008450874
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