Vitas-M small molecule compound
ethyl (2E)-2-[(6-bromo-1,3-benzodioxol-5-yl)methylidene]-5-(2,5-dimethoxyphenyl)-7-methyl-3-oxo-2,3-dihydro-5H-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxylate
Catalog ID
STK674837
SMILES CCOC(=O)C1=C(C)N=c2n(C1c1cc(OC)ccc1OC)c(=O)/c(=C\c1cc3OCOc3cc1Br)/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 C26H23BrN2O7S MW 587.45 g/mol Purity >90% as per NMR
InChI
InChI=1S/C26H23BrN2O7S/c1-5-34-25(31)22-13(2)28-26-29(23(22)16-10-15(32-3)6-7-18(16)33-4)24(30)21(37-26)9-14-8-19-20(11-17(14)27)36-12-35-19/h6-11,23H,5,12H2,1-4H3/b21-9+InChIKey
PEVJWKTWZQSNNO-ZVBGSRNCSA-NSynonyms
CCOC(=O)C1=C(C)N=c2n(C1c1cc(OC)ccc1OC)c(=O)c(=Cc1cc3OCOc3cc1Br)s2
CCOC(=O)C1=C(N=C2N(C1C3=C(C=CC(=C3)OC)OC)C(=O)C(=CC4=CC5=C(C=C4Br)OCO5)S2)C
ethyl(2E)2((6bromo13benzodioxol5yl)methylidene)5(25dimethoxyphenyl)7methyl3oxo23dihydro5H(13)thiazolo(32a)pyrimidine6carboxylate
ETHYL(2E)2((6BROMO13BENZODIOXOL5YL)METHYLIDENE)5(25DIMETHOXYPHENYL)7METHYL3OXO5H(13)THIAZOLO(32A)PYRIMIDINE6CARBOXYLATE
InChI=1SC26H23BrN2O7Sc153425(31)2213(2)282629(23(22)161015(323)6718(16)334)24(30)21(3726)91481920(1117(14)27)36123519h61123H512H214H3b219+
MFCD01460845
ZINC000100072367
ZINC000100072368
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