Vitas-M small molecule compound
ethyl (2E)-2-[(1-ethyl-1H-pyrazol-5-yl)methylidene]-7-methyl-3-oxo-5-phenyl-2,3-dihydro-5H-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxylate
Catalog ID
STL399902
SMILES CCOC(=O)C1=C(C)N=c2n(C1c1ccccc1)c(=O)/c(=C\c1ccnn1CC)/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/c1-4-25-16(11-12-23-25)13-17-20(27)26-19(15-9-7-6-8-10-15)18(21(28)29-5-2)14(3)24-22(26)30-17/h6-13,19H,4-5H2,1-3H3/b17-13+InChIKey
BMWFTIAKJHWPLY-GHRIWEEISA-NSynonyms
1005581-03-21005581032
CCN1C(=CC=N1)C=C2C(=O)N3C(C(=C(N=C3S2)C)C(=O)OCC)C4=CC=CC=C4
CCOC(=O)C1=C(C)N=c2n(C1c1ccccc1)c(=O)c(=Cc1ccnn1CC)s2
ETHYL(2E)2((1ETHYL1HPYRAZOL5YL)METHYLIDENE)7METHYL3OXO5PHENYL23DIHYDRO5H(13)THIAZOLO(32A)PYRIMIDINE6CARBOXYLATE
ETHYL(2E)2((2ETHYLPYRAZOL3YL)METHYLIDENE)7METHYL3OXO5PHENYL5H(13)THIAZOLO(32A)PYRIMIDINE6CARBOXYLATE
InChI=1SC22H22N4O3Sc142516(11122325)131720(27)2619(1597681015)18(21(28)2952)14(3)2422(26)3017h61319H45H213H3b1713+
MFCD04046384
ZINC000002787678
ZINC000002787680
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