Vitas-M small molecule compound
ethyl (2E)-5-(4-chlorophenyl)-2-[(1-ethyl-1H-pyrazol-5-yl)methylidene]-7-methyl-3-oxo-2,3-dihydro-5H-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxylate
Catalog ID
STL401262
SMILES CCOC(=O)C1=C(C)N=c2n(C1c1ccc(cc1)Cl)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 C22H21ClN4O3S MW 456.95 g/mol Purity >90% as per NMR
InChI
InChI=1S/C22H21ClN4O3S/c1-4-26-16(10-11-24-26)12-17-20(28)27-19(14-6-8-15(23)9-7-14)18(21(29)30-5-2)13(3)25-22(27)31-17/h6-12,19H,4-5H2,1-3H3/b17-12+InChIKey
HIPOPVQFZOWDDB-SFQUDFHCSA-NSynonyms
1005620-10-91005620109
CCN1C(=CC=N1)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(=Cc1ccnn1CC)s2
ethyl(2E)5(4chlorophenyl)2((1ethyl1Hpyrazol5yl)methylidene)7methyl3oxo23dihydro5H(13)thiazolo(32a)pyrimidine6carboxylate
ETHYL(2E)5(4CHLOROPHENYL)2((2ETHYLPYRAZOL3YL)METHYLIDENE)7METHYL3OXO5H(13)THIAZOLO(32A)PYRIMIDINE6CARBOXYLATE
InChI=1SC22H21ClN4O3Sc142616(10112426)121720(28)2719(146815(23)9714)18(21(29)3052)13(3)2522(27)3117h61219H45H213H3b1712+
MFCD04046390
ZINC000002788260
ZINC000002788262
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