Vitas-M small molecule compound
ethyl (2E)-2-[(1-ethyl-1H-pyrazol-5-yl)methylidene]-5-(4-methoxyphenyl)-7-methyl-3-oxo-2,3-dihydro-5H-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxylate
Catalog ID
STL401508
SMILES CCOC(=O)C1=C(C)N=c2n(C1c1ccc(cc1)OC)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 C23H24N4O4S MW 452.53 g/mol Purity >90% as per NMR
InChI
InChI=1S/C23H24N4O4S/c1-5-26-16(11-12-24-26)13-18-21(28)27-20(15-7-9-17(30-4)10-8-15)19(22(29)31-6-2)14(3)25-23(27)32-18/h7-13,20H,5-6H2,1-4H3/b18-13+InChIKey
GVQPBEZSCMMVEB-QGOAFFKASA-NSynonyms
1005582-62-61005582626
CCN1C(=CC=N1)C=C2C(=O)N3C(C(=C(N=C3S2)C)C(=O)OCC)C4=CC=C(C=C4)OC
CCOC(=O)C1=C(C)N=c2n(C1c1ccc(cc1)OC)c(=O)c(=Cc1ccnn1CC)s2
ethyl(2E)2((1ethyl1Hpyrazol5yl)methylidene)5(4methoxyphenyl)7methyl3oxo23dihydro5H(13)thiazolo(32a)pyrimidine6carboxylate
ETHYL(2E)2((2ETHYLPYRAZOL3YL)METHYLIDENE)5(4METHOXYPHENYL)7METHYL3OXO5H(13)THIAZOLO(32A)PYRIMIDINE6CARBOXYLATE
InChI=1SC23H24N4O4Sc152616(11122426)131821(28)2720(157917(304)10815)19(22(29)3162)14(3)2523(27)3218h71320H56H214H3b1813+
MFCD04046389
ZINC000002788066
ZINC000002788068
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