Vitas-M small molecule compound
ethyl (2E)-2-[(3,5-dimethyl-1-phenyl-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
STL403426
SMILES CCOC(=O)C1=C(C)N=c2n(C1c1ccc(cc1)O)c(=O)/c(=C\c1c(C)nn(c1C)c1ccccc1)/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 C28H26N4O4S MW 514.60 g/mol Purity >90% as per NMR
InChI
InChI=1S/C28H26N4O4S/c1-5-36-27(35)24-17(3)29-28-31(25(24)19-11-13-21(33)14-12-19)26(34)23(37-28)15-22-16(2)30-32(18(22)4)20-9-7-6-8-10-20/h6-15,25,33H,5H2,1-4H3/b23-15+InChIKey
WCDGHNIQYUMZKC-HZHRSRAPSA-NSynonyms
1005670-44-91005670449
CCOC(=O)C1=C(C)N=c2n(C1c1ccc(cc1)O)c(=O)c(=Cc1c(C)nn(c1C)c1ccccc1)s2
CCOC(=O)C1=C(N=C2N(C1C3=CC=C(C=C3)O)C(=O)C(=CC4=C(N(N=C4C)C5=CC=CC=C5)C)S2)C
ethyl(2E)2((35dimethyl1phenyl1Hpyrazol4yl)methylidene)5(4hydroxyphenyl)7methyl3oxo23dihydro5H(13)thiazolo(32a)pyrimidine6carboxylate
ethyl(2E)2((35dimethyl1phenylpyrazol4yl)methylidene)5(4hydroxyphenyl)7methyl3oxo5H(13)thiazolo(32a)pyrimidine6carboxylate
InChI=1SC28H26N4O4Sc153627(35)2417(3)292831(25(24)19111321(33)141219)26(34)23(3728)152216(2)3032(18(22)4)2097681020h6152533H5H214H3b2315+
MFCD04049673
ZINC000020602345
ZINC000020602346
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