Vitas-M small molecule compound
methyl (2E)-5-{4-[(furan-2-ylcarbonyl)oxy]phenyl}-7-methyl-2-(4-methylbenzylidene)-3-oxo-2,3-dihydro-5H-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxylate
Catalog ID
STK702552
SMILES COC(=O)C1=C(C)N=c2n(C1c1ccc(cc1)OC(=O)c1ccco1)c(=O)/c(=C\c1ccc(cc1)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 C28H22N2O6S MW 514.56 g/mol Purity >90% as per NMR
InChI
InChI=1S/C28H22N2O6S/c1-16-6-8-18(9-7-16)15-22-25(31)30-24(23(27(33)34-3)17(2)29-28(30)37-22)19-10-12-20(13-11-19)36-26(32)21-5-4-14-35-21/h4-15,24H,1-3H3/b22-15+InChIKey
JSWLXPXWQVPLQF-PXLXIMEGSA-NSynonyms
(E)methyl5(4((furan2carbonyl)oxy)phenyl)7methyl2(4methylbenzylidene)3oxo35dihydro2Hthiazolo(32a)pyrimidine6carboxylate
CC1=CC=C(C=C1)C=C2C(=O)N3C(C(=C(N=C3S2)C)C(=O)OC)C4=CC=C(C=C4)OC(=O)C5=CC=CO5
COC(=O)C1=C(C)N=c2n(C1c1ccc(cc1)OC(=O)c1ccco1)c(=O)c(=Cc1ccc(cc1)C)s2
InChI=1SC28H22N2O6Sc1166818(9716)152225(31)3024(23(27(33)343)17(2)2928(30)3722)19101220(131119)3626(32)2154143521h41524H13H3b2215+
methyl(2E)5(4((furan2ylcarbonyl)oxy)phenyl)7methyl2(4methylbenzylidene)3oxo23dihydro5H(13)thiazolo(32a)pyrimidine6carboxylate
METHYL(2E)5(4(FURAN2CARBONYLOXY)PHENYL)7METHYL2((4METHYLPHENYL)METHYLIDENE)3OXO5H(13)THIAZOLO(32A)PYRIMIDINE6CARBOXYLATE
METHYL5(4(FURAN2YLCARBONYLOXY)PHENYL)7METHYL2((4METHYLPHENYL)METHYLIDENE)3OXO2H3H5HPYRIMIDO(21B)(13)THIAZOLE6CARBOXYLATE
MFCD02985870
ZINC000000632651
ZINC000000632655
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