Vitas-M small molecule compound
ethyl (2Z)-5-(1,3-benzodioxol-5-yl)-2-(2-methoxybenzylidene)-7-methyl-3-oxo-2,3-dihydro-5H-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxylate
Catalog ID
STL296369
SMILES CCOC(=O)C1=C(C)N=c2n(C1c1ccc3c(c1)OCO3)c(=O)/c(=C/c1ccccc1OC)/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 C25H22N2O6S MW 478.53 g/mol Purity >90% as per NMR
InChI
InChI=1S/C25H22N2O6S/c1-4-31-24(29)21-14(2)26-25-27(22(21)16-9-10-18-19(11-16)33-13-32-18)23(28)20(34-25)12-15-7-5-6-8-17(15)30-3/h5-12,22H,4,13H2,1-3H3/b20-12-InChIKey
ICBUDWVWCZVXKQ-NDENLUEZSA-NSynonyms
(Z)ethyl5(benzo(d)(13)dioxol5yl)2(2methoxybenzylidene)7methyl3oxo35dihydro2Hthiazolo(32a)pyrimidine6carboxylate
CCOC(=O)C1=C(C)N=c2n(C1c1ccc3c(c1)OCO3)c(=O)c(=Cc1ccccc1OC)s2
CCOC(=O)C1=C(N=C2N(C1C3=CC4=C(C=C3)OCO4)C(=O)C(=CC5=CC=CC=C5OC)S2)C
ETHYL(2Z)5(13BENZODIOXOL5YL)2((2METHOXYPHENYL)METHYLIDENE)7METHYL3OXO5H(13)THIAZOLO(32A)PYRIMIDINE6CARBOXYLATE
ethyl(2Z)5(13benzodioxol5yl)2(2methoxybenzylidene)7methyl3oxo23dihydro5H(13)thiazolo(32a)pyrimidine6carboxylate
InChI=1SC25H22N2O6Sc143124(29)2114(2)262527(22(21)169101819(1116)33133218)23(28)20(3425)1215756817(15)303h51222H413H213H3b2012
MFCD01455285
ZINC000001194285
ZINC000001194287
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