Vitas-M small molecule compound
ethyl (2E)-5-(4-chlorophenyl)-2-[(1-ethyl-3-methyl-1H-pyrazol-4-yl)methylidene]-7-methyl-3-oxo-2,3-dihydro-5H-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxylate
Catalog ID
STK956133
SMILES CCOC(=O)C1=C(C)N=c2n(C1c1ccc(cc1)Cl)c(=O)/c(=C\c1cn(nc1C)CC)/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 C23H23ClN4O3S MW 470.98 g/mol Purity >90% as per NMR
InChI
InChI=1S/C23H23ClN4O3S/c1-5-27-12-16(13(3)26-27)11-18-21(29)28-20(15-7-9-17(24)10-8-15)19(22(30)31-6-2)14(4)25-23(28)32-18/h7-12,20H,5-6H2,1-4H3/b18-11+InChIKey
CSCURRMYGCVVDR-WOJGMQOQSA-NSynonyms
512810-65-0512810650
CCN1C=C(C(=N1)C)C=C2C(=O)N3C(C(=C(N=C3S2)C)C(=O)OCC)C4=CC=C(C=C4)Cl
CCOC(=O)C1=C(C)N=c2n(C1c1ccc(cc1)Cl)c(=O)c(=Cc1cn(nc1C)CC)s2
ethyl(2E)5(4chlorophenyl)2((1ethyl3methyl1Hpyrazol4yl)methylidene)7methyl3oxo23dihydro5H(13)thiazolo(32a)pyrimidine6carboxylate
ETHYL(2E)5(4CHLOROPHENYL)2((1ETHYL3METHYLPYRAZOL4YL)METHYLIDENE)7METHYL3OXO5H(13)THIAZOLO(32A)PYRIMIDINE6CARBOXYLATE
ETHYL5(4CHLOROPHENYL)2((1ETHYL3METHYL1HPYRAZOL4YL)METHYLENE)7METHYL3OXO23DIHYDRO5H(13)THIAZOLO(32A)PYRIMIDINE6CARBOXYLATE
InChI=1SC23H23ClN4O3Sc15271216(13(3)2627)111821(29)2820(157917(24)10815)19(22(30)3162)14(4)2523(28)3218h71220H56H214H3b1811+
MFCD03465946
ZINC000000650921
ZINC000000650925
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Check stock on Vitas-MAvailable files
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