Vitas-M small molecule compound
methyl (2Z)-2-(4-fluorobenzylidene)-5-(4-methoxyphenyl)-7-methyl-3-oxo-2,3-dihydro-5H-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxylate
Catalog ID
STK876739
SMILES COC(=O)C1=C(C)N=c2n(C1c1ccc(cc1)OC)c(=O)/c(=C/c1ccc(cc1)F)/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 C23H19FN2O4S MW 438.48 g/mol Purity >90% as per NMR
InChI
InChI=1S/C23H19FN2O4S/c1-13-19(22(28)30-3)20(15-6-10-17(29-2)11-7-15)26-21(27)18(31-23(26)25-13)12-14-4-8-16(24)9-5-14/h4-12,20H,1-3H3/b18-12-InChIKey
QTRQDJNDEKAHHF-PDGQHHTCSA-NSynonyms
(E)methyl2(4fluorobenzylidene)5(4methoxyphenyl)7methyl3oxo35dihydro2Hthiazolo(32a)pyrimidine6carboxylate
CC1=C(C(N2C(=O)C(=CC3=CC=C(C=C3)F)SC2=N1)C4=CC=C(C=C4)OC)C(=O)OC
COC(=O)C1=C(C)N=c2n(C1c1ccc(cc1)OC)c(=O)c(=Cc1ccc(cc1)F)s2
InChI=1SC23H19FN2O4Sc11319(22(28)303)20(1561017(292)11715)2621(27)18(3123(26)2513)12144816(24)9514h41220H13H3b1812
METHYL(2Z)2((4FLUOROPHENYL)METHYLIDENE)5(4METHOXYPHENYL)7METHYL3OXO5H(13)THIAZOLO(32A)PYRIMIDINE6CARBOXYLATE
methyl(2Z)2(4fluorobenzylidene)5(4methoxyphenyl)7methyl3oxo23dihydro5H(13)thiazolo(32a)pyrimidine6carboxylate
MFCD05127486
ZINC000000624086
ZINC000000624088
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