Vitas-M small molecule compound
ethyl (2E)-5-[4-(difluoromethoxy)phenyl]-7-methyl-3-oxo-2-[(1,3,5-trimethyl-1H-pyrazol-4-yl)methylidene]-2,3-dihydro-5H-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxylate
Catalog ID
STL400306
SMILES CCOC(=O)C1=C(C)N=c2n(C1c1ccc(cc1)OC(F)F)c(=O)/c(=C\c1c(C)nn(c1C)C)/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 C24H24F2N4O4S MW 502.54 g/mol Purity >90% as per NMR
InChI
InChI=1S/C24H24F2N4O4S/c1-6-33-22(32)19-13(3)27-24-30(20(19)15-7-9-16(10-8-15)34-23(25)26)21(31)18(35-24)11-17-12(2)28-29(5)14(17)4/h7-11,20,23H,6H2,1-5H3/b18-11+InChIKey
NEZUBNILVOBHAO-WOJGMQOQSA-NSynonyms
1005647-17-51005647175
CCOC(=O)C1=C(C)N=c2n(C1c1ccc(cc1)OC(F)F)c(=O)c(=Cc1c(C)nn(c1C)C)s2
CCOC(=O)C1=C(N=C2N(C1C3=CC=C(C=C3)OC(F)F)C(=O)C(=CC4=C(N(N=C4C)C)C)S2)C
ethyl(2E)5(4(difluoromethoxy)phenyl)7methyl3oxo2((135trimethyl1Hpyrazol4yl)methylidene)23dihydro5H(13)thiazolo(32a)pyrimidine6carboxylate
ethyl(2E)5(4(difluoromethoxy)phenyl)7methyl3oxo2((135trimethylpyrazol4yl)methylidene)5H(13)thiazolo(32a)pyrimidine6carboxylate
InChI=1SC24H24F2N4O4Sc163322(32)1913(3)272430(20(19)157916(10815)3423(25)26)21(31)18(3524)111712(2)2829(5)14(17)4h7112023H6H215H3b1811+
MFCD04046411
ZINC000022825537
ZINC000022825542
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