Vitas-M small molecule compound
ethyl (2Z)-2-[3-({[3-cyano-6-(difluoromethyl)-4-methylpyridin-2-yl]sulfanyl}methyl)-4-methoxybenzylidene]-5-[4-(dimethylamino)phenyl]-7-methyl-3-oxo-2,3-dihydro-5H-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxylate
Catalog ID
STL173678
SMILES CCOC(=O)C1=C(C)N=c2n(C1c1ccc(cc1)N(C)C)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 C35H33F2N5O4S2 MW 689.81 g/mol Purity >90% as per NMR
InChI
InChI=1S/C35H33F2N5O4S2/c1-7-46-34(44)29-20(3)39-35-42(30(29)22-9-11-24(12-10-22)41(4)5)33(43)28(48-35)16-21-8-13-27(45-6)23(15-21)18-47-32-25(17-38)19(2)14-26(40-32)31(36)37/h8-16,30-31H,7,18H2,1-6H3/b28-16-InChIKey
ZYUKOBXXDOBKFQ-NTFVMDSBSA-NSynonyms
445245-83-0445245830
CCOC(=O)C1=C(C)N=c2n(C1c1ccc(cc1)N(C)C)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)N(C)C)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(4(dimethylamino)phenyl)7methyl3oxo5H(13)thiazolo(32a)pyrimidine6carboxylate
ETHYL(2Z)2((3((3CYANO6(DIFLUOROMETHYL)4METHYLPYRIDIN2YL)SULFANYLMETHYL)4METHOXYPHENYL)METHYLIDENE)5(4DIMETHYLAMINOPHENYL)7METHYL3OXO5H(13)THIAZOLO(32A)PYRIMIDINE6CARBOXYLATE
ethyl(2Z)2(3(((3cyano6(difluoromethyl)4methylpyridin2yl)sulfanyl)methyl)4methoxybenzylidene)5(4(dimethylamino)phenyl)7methyl3oxo23dihydro5H(13)thiazolo(32a)pyrimidine6car
ETHYL2(3(((3CYANO6(DIFLUOROMETHYL)4METHYL2PYRIDINYL)SULFANYL)METHYL)4METHOXYBENZYLIDENE)5(4(DIMETHYLAMINO)PHENYL)7METHYL3OXO23DIHYDRO5H(13)THIAZOLO(32A)PYRIMIDINE6CARBOXYL
InChI=1SC35H33F2N5O4S2c174634(44)2920(3)393542(30(29)2291124(121022)41(4)5)33(43)28(4835)162181327(456)23(1521)18473225(1738)19(2)1426(4032)31(36)37h8163031H718H216H3b2816
MFCD02243219
ZINC000008450883
ZINC000008450884
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