Vitas-M small molecule compound
ethyl (2E)-5-[4-(acetyloxy)phenyl]-2-benzylidene-7-methyl-3-oxo-2,3-dihydro-5H-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxylate
Catalog ID
STK834111
SMILES CCOC(=O)C1=C(C)N=c2n(C1c1ccc(cc1)OC(=O)C)c(=O)/c(=C\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 C25H22N2O5S MW 462.53 g/mol Purity >90% as per NMR
InChI
InChI=1S/C25H22N2O5S/c1-4-31-24(30)21-15(2)26-25-27(22(21)18-10-12-19(13-11-18)32-16(3)28)23(29)20(33-25)14-17-8-6-5-7-9-17/h5-14,22H,4H2,1-3H3/b20-14+InChIKey
YMYJBLLIBQJCHM-XSFVSMFZSA-NSynonyms
324070-69-1(E)ethyl5(4acetoxyphenyl)2benzylidene7methyl3oxo35dihydro2Hthiazolo(32a)pyrimidine6carboxylate
324070691
CCOC(=O)C1=C(C)N=c2n(C1c1ccc(cc1)OC(=O)C)c(=O)c(=Cc1ccccc1)s2
CCOC(=O)C1=C(N=C2N(C1C3=CC=C(C=C3)OC(=O)C)C(=O)C(=CC4=CC=CC=C4)S2)C
ethyl(2E)5(4(acetyloxy)phenyl)2benzylidene7methyl3oxo23dihydro5H(13)thiazolo(32a)pyrimidine6carboxylate
ethyl(2E)5(4acetyloxyphenyl)2benzylidene7methyl3oxo5H(13)thiazolo(32a)pyrimidine6carboxylate
InChI=1SC25H22N2O5Sc143124(30)2115(2)262527(22(21)18101219(131118)3216(3)28)23(29)20(3325)14178657917h51422H4H213H3b2014+
MFCD01556968
ZINC000013739229
ZINC000013739230
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