Vitas-M small molecule compound
ethyl (2E)-2-(furan-3-ylmethylidene)-5-(4-hydroxyphenyl)-7-methyl-3-oxo-2,3-dihydro-5H-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxylate
Catalog ID
STK968587
SMILES CCOC(=O)C1=C(C)N=c2n(C1c1ccc(cc1)O)c(=O)/c(=C\c1cocc1)/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 C21H18N2O5S MW 410.45 g/mol Purity >90% as per NMR
InChI
InChI=1S/C21H18N2O5S/c1-3-28-20(26)17-12(2)22-21-23(18(17)14-4-6-15(24)7-5-14)19(25)16(29-21)10-13-8-9-27-11-13/h4-11,18,24H,3H2,1-2H3/b16-10+InChIKey
FBUFPYCSGSXHAX-MHWRWJLKSA-NSynonyms
CCOC(=O)C1=C(C)N=c2n(C1c1ccc(cc1)O)c(=O)c(=Cc1cocc1)s2
CCOC(=O)C1=C(N=C2N(C1C3=CC=C(C=C3)O)C(=O)C(=CC4=COC=C4)S2)C
ethyl(2E)2(furan3ylmethylidene)5(4hydroxyphenyl)7methyl3oxo23dihydro5H(13)thiazolo(32a)pyrimidine6carboxylate
ethyl(2E)2(furan3ylmethylidene)5(4hydroxyphenyl)7methyl3oxo5H(13)thiazolo(32a)pyrimidine6carboxylate
InChI=1SC21H18N2O5Sc132820(26)1712(2)222123(18(17)144615(24)7514)19(25)16(2921)101389271113h4111824H3H212H3b1610+
MFCD02242806
ZINC000004461317
ZINC000004461323
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