Vitas-M small molecule compound
ethyl (2E)-2-[(1,5-dimethyl-1H-pyrazol-4-yl)methylidene]-7-methyl-3-oxo-5-phenyl-2,3-dihydro-5H-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxylate
Catalog ID
STK961563
SMILES CCOC(=O)C1=C(C)N=c2n(C1c1ccccc1)c(=O)/c(=C\c1cnn(c1C)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 C22H22N4O3S MW 422.51 g/mol Purity >90% as per NMR
InChI
InChI=1S/C22H22N4O3S/c1-5-29-21(28)18-13(2)24-22-26(19(18)15-9-7-6-8-10-15)20(27)17(30-22)11-16-12-23-25(4)14(16)3/h6-12,19H,5H2,1-4H3/b17-11+InChIKey
SYSLQNXGCIJITR-GZTJUZNOSA-NSynonyms
1005575-30-31005575303
CCOC(=O)C1=C(C)N=c2n(C1c1ccccc1)c(=O)c(=Cc1cnn(c1C)C)s2
CCOC(=O)C1=C(N=C2N(C1C3=CC=CC=C3)C(=O)C(=CC4=C(N(N=C4)C)C)S2)C
ethyl(2E)2((15dimethyl1Hpyrazol4yl)methylidene)7methyl3oxo5phenyl23dihydro5H(13)thiazolo(32a)pyrimidine6carboxylate
ethyl(2E)2((15dimethylpyrazol4yl)methylidene)7methyl3oxo5phenyl5H(13)thiazolo(32a)pyrimidine6carboxylate
ETHYL2((15DIMETHYL1HPYRAZOL4YL)METHYLENE)7METHYL3OXO5PHENYL23DIHYDRO5H(13)THIAZOLO(32A)PYRIMIDINE6CARBOXYLATE
InChI=1SC22H22N4O3Sc152921(28)1813(2)242226(19(18)1597681015)20(27)17(3022)1116122325(4)14(16)3h61219H5H214H3b1711+
MFCD02010730
ZINC000008843447
ZINC000009970850
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