Vitas-M small molecule compound
ethyl (2E)-5-(4-chlorophenyl)-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
STK956229
SMILES CCOC(=O)C1=C(C)N=c2n(C1c1ccc(cc1)Cl)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 C22H21ClN4O3S MW 456.95 g/mol Purity >90% as per NMR
InChI
InChI=1S/C22H21ClN4O3S/c1-5-30-21(29)18-13(3)24-22-27(19(18)14-6-8-16(23)9-7-14)20(28)17(31-22)10-15-11-26(4)25-12(15)2/h6-11,19H,5H2,1-4H3/b17-10+InChIKey
WXQBTKZTSCCPND-LICLKQGHSA-NSynonyms
512811-59-5512811595
CCOC(=O)C1=C(C)N=c2n(C1c1ccc(cc1)Cl)c(=O)c(=Cc1cn(nc1C)C)s2
CCOC(=O)C1=C(N=C2N(C1C3=CC=C(C=C3)Cl)C(=O)C(=CC4=CN(N=C4C)C)S2)C
ethyl(2E)5(4chlorophenyl)2((13dimethyl1Hpyrazol4yl)methylidene)7methyl3oxo23dihydro5H(13)thiazolo(32a)pyrimidine6carboxylate
ethyl(2E)5(4chlorophenyl)2((13dimethylpyrazol4yl)methylidene)7methyl3oxo5H(13)thiazolo(32a)pyrimidine6carboxylate
ETHYL5(4CHLOROPHENYL)2((13DIMETHYL1HPYRAZOL4YL)METHYLENE)7METHYL3OXO23DIHYDRO5H(13)THIAZOLO(32A)PYRIMIDINE6CARBOXYLATE
InChI=1SC22H21ClN4O3Sc153021(29)1813(3)242227(19(18)146816(23)9714)20(28)17(3122)10151126(4)2512(15)2h61119H5H214H3b1710+
MFCD03466232
ZINC000008454870
ZINC000008454871
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