Vitas-M small molecule compound
methyl (2E)-5-[4-(dimethylamino)phenyl]-2-[(1,3-dimethyl-1H-pyrazol-4-yl)methylidene]-7-methyl-3-oxo-2,3-dihydro-5H-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxylate
Catalog ID
STK956122
SMILES COC(=O)C1=C(C)N=c2n(C1c1ccc(cc1)N(C)C)c(=O)/c(=C\c1cn(nc1C)C)/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 C23H25N5O3S MW 451.55 g/mol Purity >90% as per NMR
InChI
InChI=1S/C23H25N5O3S/c1-13-16(12-27(5)25-13)11-18-21(29)28-20(15-7-9-17(10-8-15)26(3)4)19(22(30)31-6)14(2)24-23(28)32-18/h7-12,20H,1-6H3/b18-11+InChIKey
XUBLNLZKQWRCOV-WOJGMQOQSA-NSynonyms
512810-52-5512810525
CC1=C(C(N2C(=O)C(=CC3=CN(N=C3C)C)SC2=N1)C4=CC=C(C=C4)N(C)C)C(=O)OC
COC(=O)C1=C(C)N=c2n(C1c1ccc(cc1)N(C)C)c(=O)c(=Cc1cn(nc1C)C)s2
InChI=1SC23H25N5O3Sc11316(1227(5)2513)111821(29)2820(157917(10815)26(3)4)19(22(30)316)14(2)2423(28)3218h71220H16H3b1811+
methyl(2E)5(4(dimethylamino)phenyl)2((13dimethyl1Hpyrazol4yl)methylidene)7methyl3oxo23dihydro5H(13)thiazolo(32a)pyrimidine6carboxylate
methyl(2E)5(4(dimethylamino)phenyl)2((13dimethylpyrazol4yl)methylidene)7methyl3oxo5H(13)thiazolo(32a)pyrimidine6carboxylate
METHYL(2E)5(4DIMETHYLAMINOPHENYL)2((13DIMETHYLPYRAZOL4YL)METHYLIDENE)7METHYL3OXO5H(13)THIAZOLO(32A)PYRIMIDINE6CARBOXYLATE
METHYL5(4(DIMETHYLAMINO)PHENYL)2((13DIMETHYL1HPYRAZOL4YL)METHYLENE)7METHYL3OXO23DIHYDRO5H(13)THIAZOLO(32A)PYRIMIDINE6CARBOXYLATE
MFCD03465903
ZINC000000650900
ZINC000002111573
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