Vitas-M small molecule compound
ethyl (2Z)-2-[(1-ethyl-3,5-dimethyl-1H-pyrazol-4-yl)methylidene]-5-(4-hydroxyphenyl)-7-methyl-3-oxo-2,3-dihydro-5H-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxylate
Catalog ID
STL401558
SMILES CCOC(=O)C1=C(C)N=c2n(C1c1ccc(cc1)O)c(=O)/c(=C/c1c(C)nn(c1C)CC)/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 C24H26N4O4S MW 466.56 g/mol Purity >90% as per NMR
InChI
InChI=1S/C24H26N4O4S/c1-6-27-15(5)18(13(3)26-27)12-19-22(30)28-21(16-8-10-17(29)11-9-16)20(23(31)32-7-2)14(4)25-24(28)33-19/h8-12,21,29H,6-7H2,1-5H3/b19-12-InChIKey
NRNLLNXJXCNZCU-UNOMPAQXSA-NSynonyms
CCN1C(=C(C(=N1)C)C=C2C(=O)N3C(C(=C(N=C3S2)C)C(=O)OCC)C4=CC=C(C=C4)O)C
CCOC(=O)C1=C(C)N=c2n(C1c1ccc(cc1)O)c(=O)c(=Cc1c(C)nn(c1C)CC)s2
ethyl(2Z)2((1ethyl35dimethyl1Hpyrazol4yl)methylidene)5(4hydroxyphenyl)7methyl3oxo23dihydro5H(13)thiazolo(32a)pyrimidine6carboxylate
ethyl(2Z)2((1ethyl35dimethylpyrazol4yl)methylidene)5(4hydroxyphenyl)7methyl3oxo5H(13)thiazolo(32a)pyrimidine6carboxylate
InChI=1SC24H26N4O4Sc162715(5)18(13(3)2627)121922(30)2821(1681017(29)11916)20(23(31)3272)14(4)2524(28)3319h8122129H67H215H3b1912
MFCD28952601
ZINC000002782922
ZINC000002783353
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