Vitas-M small molecule compound
ethyl (2Z)-5-(1,3-benzodioxol-5-yl)-7-methyl-3-oxo-2-(pyridin-3-ylmethylidene)-2,3-dihydro-5H-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxylate
Catalog ID
STK804749
SMILES CCOC(=O)C1=C(C)N=c2n(C1c1ccc3c(c1)OCO3)c(=O)/c(=C/c1cccnc1)/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 C23H19N3O5S MW 449.49 g/mol Purity >90% as per NMR
InChI
InChI=1S/C23H19N3O5S/c1-3-29-22(28)19-13(2)25-23-26(20(19)15-6-7-16-17(10-15)31-12-30-16)21(27)18(32-23)9-14-5-4-8-24-11-14/h4-11,20H,3,12H2,1-2H3/b18-9-InChIKey
OBWLSZXYCQGPTR-NVMNQCDNSA-NSynonyms
(E)ethyl5(benzo(d)(13)dioxol5yl)7methyl3oxo2(pyridin3ylmethylene)35dihydro2Hthiazolo(32a)pyrimidine6carboxylate
CCOC(=O)C1=C(C)N=c2n(C1c1ccc3c(c1)OCO3)c(=O)c(=Cc1cccnc1)s2
CCOC(=O)C1=C(N=C2N(C1C3=CC4=C(C=C3)OCO4)C(=O)C(=CC5=CN=CC=C5)S2)C
ethyl(2Z)5(13benzodioxol5yl)7methyl3oxo2(pyridin3ylmethylidene)23dihydro5H(13)thiazolo(32a)pyrimidine6carboxylate
ETHYL(2Z)5(13BENZODIOXOL5YL)7METHYL3OXO2(PYRIDIN3YLMETHYLIDENE)5H(13)THIAZOLO(32A)PYRIMIDINE6CARBOXYLATE
ETHYL5(2HBENZO(34D)13DIOXOLEN5YL)7METHYL3OXO2(3PYRIDYLMETHYLENE)45DIHYDRO13THIAZOLIDINO(32A)PYRIMIDINE6CARBOXYLATE
InChI=1SC23H19N3O5Sc132922(28)1913(2)252326(20(19)15671617(1015)31123016)21(27)18(3223)914548241114h41120H312H212H3b189
MFCD01061731
ZINC000008989841
ZINC000008990066
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