Vitas-M small molecule compound
methyl (2E)-2-(4-fluorobenzylidene)-7-methyl-5-[4-(methylsulfanyl)phenyl]-3-oxo-2,3-dihydro-5H-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxylate
Catalog ID
STK880653
SMILES COC(=O)C1=C(C)N=c2n(C1c1ccc(cc1)SC)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 C23H19FN2O3S2 MW 454.55 g/mol Purity >90% as per NMR
InChI
InChI=1S/C23H19FN2O3S2/c1-13-19(22(28)29-2)20(15-6-10-17(30-3)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
NJTSAJPGSSKIGC-LDADJPATSA-NSynonyms
612077-14-2612077142
CC1=C(C(N2C(=O)C(=CC3=CC=C(C=C3)F)SC2=N1)C4=CC=C(C=C4)SC)C(=O)OC
COC(=O)C1=C(C)N=c2n(C1c1ccc(cc1)SC)c(=O)c(=Cc1ccc(cc1)F)s2
InChI=1SC23H19FN2O3S2c11319(22(28)292)20(1561017(303)11715)2621(27)18(3123(26)2513)12144816(24)9514h41220H13H3b1812+
methyl(2E)2((4fluorophenyl)methylidene)7methyl5(4methylsulfanylphenyl)3oxo5H(13)thiazolo(32a)pyrimidine6carboxylate
methyl(2E)2(4fluorobenzylidene)7methyl5(4(methylsulfanyl)phenyl)3oxo23dihydro5H(13)thiazolo(32a)pyrimidine6carboxylate
METHYL2(4FLUOROBENZYLIDENE)7METHYL5(4(METHYLTHIO)PHENYL)3OXO35DIHYDRO2HTHIAZOLO(32A)PYRIMIDINE6CARBOXYLATE
MFCD04441257
ZINC000016711747
ZINC000016711749
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