Vitas-M small molecule compound
ethyl (2E)-5-(1,3-benzodioxol-5-yl)-2-(5-chloro-2-hydroxybenzylidene)-7-methyl-3-oxo-2,3-dihydro-5H-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxylate
Catalog ID
STK759002
SMILES CCOC(=O)C1=C(C)N=c2n(C1c1ccc3c(c1)OCO3)c(=O)/c(=C\c1cc(Cl)ccc1O)/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 C24H19ClN2O6S MW 498.94 g/mol Purity >90% as per NMR
InChI
InChI=1S/C24H19ClN2O6S/c1-3-31-23(30)20-12(2)26-24-27(21(20)13-4-7-17-18(9-13)33-11-32-17)22(29)19(34-24)10-14-8-15(25)5-6-16(14)28/h4-10,21,28H,3,11H2,1-2H3/b19-10+InChIKey
CKWSLPZSVZOLTK-VXLYETTFSA-NSynonyms
CCOC(=O)C1=C(C)N=c2n(C1c1ccc3c(c1)OCO3)c(=O)c(=Cc1cc(Cl)ccc1O)s2
CCOC(=O)C1=C(N=C2N(C1C3=CC4=C(C=C3)OCO4)C(=O)C(=CC5=C(C=CC(=C5)Cl)O)S2)C
ETHYL(2E)5(13BENZODIOXOL5YL)2((5CHLORO2HYDROXYPHENYL)METHYLIDENE)7METHYL3OXO5H(13)THIAZOLO(32A)PYRIMIDINE6CARBOXYLATE
ethyl(2E)5(13benzodioxol5yl)2(5chloro2hydroxybenzylidene)7methyl3oxo23dihydro5H(13)thiazolo(32a)pyrimidine6carboxylate
InChI=1SC24H19ClN2O6Sc133123(30)2012(2)262427(21(20)13471718(913)33113217)22(29)19(3424)1014815(25)5616(14)28h4102128H311H212H3b1910+
MFCD01460595
ZINC000008853841
ZINC000008853843
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