Vitas-M small molecule compound
ethyl (2Z)-2-[3-(acetyloxy)benzylidene]-7-methyl-3-oxo-5-[4-(prop-2-en-1-yloxy)phenyl]-2,3-dihydro-5H-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxylate
Catalog ID
STL506261
SMILES C=CCOc1ccc(cc1)C1C(=C(C)N=c2n1c(=O)/c(=C/c1cccc(c1)OC(=O)C)/s2)C(=O)OCC
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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 C28H26N2O6S MW 518.59 g/mol Purity >90% as per NMR
InChI
InChI=1S/C28H26N2O6S/c1-5-14-35-21-12-10-20(11-13-21)25-24(27(33)34-6-2)17(3)29-28-30(25)26(32)23(37-28)16-19-8-7-9-22(15-19)36-18(4)31/h5,7-13,15-16,25H,1,6,14H2,2-4H3/b23-16-InChIKey
LFTWADBSZHWBER-KQWNVCNZSA-NSynonyms
6085750
ethyl(2~(Z))2((3acetyloxyphenyl)methylidene)7methyl3oxo5(4prop2enoxyphenyl)5~(H)(13)thiazolo(32a)pyrimidine6carboxylate
ETHYL(2Z)2((3ACETYLOXYPHENYL)METHYLIDENE)7METHYL3OXO5(4PROP2ENOXYPHENYL)5H(13)THIAZOLO(32A)PYRIMIDINE6CARBOXYLATE
ethyl(2Z)2(3(acetyloxy)benzylidene)7methyl3oxo5(4(prop2en1yloxy)phenyl)23dihydro5H(13)thiazolo(32a)pyrimidine6carboxylate
ETHYL2(3(ACETYLOXY)BENZYLIDENE)5(4(ALLYLOXY)PHENYL)7METHYL3OXO23DIHYDRO5H(13)THIAZOLO(32A)PYRIMIDINE6CARBOXYLATE
InChI=1SC28H26N2O6Sc15143521121020(111321)2524(27(33)3462)17(3)292830(25)26(32)23(3728)161987922(1519)3618(4)31h5713151625H1614H224H3b2316
MFCD03079949
ZINC000002049329
ZINC000002049331
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