Vitas-M small molecule compound
ethyl (2E)-5-(1,3-benzodioxol-5-yl)-2-(4-fluorobenzylidene)-3-oxo-7-phenyl-2,3-dihydro-5H-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxylate
Catalog ID
STL508379
SMILES CCOC(=O)C1=C(N=c2n(C1c1ccc3c(c1)OCO3)c(=O)/c(=C\c1ccc(cc1)F)/s2)c1ccccc1
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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 C29H21FN2O5S MW 528.56 g/mol Purity >90% as per NMR
InChI
InChI=1S/C29H21FN2O5S/c1-2-35-28(34)24-25(18-6-4-3-5-7-18)31-29-32(26(24)19-10-13-21-22(15-19)37-16-36-21)27(33)23(38-29)14-17-8-11-20(30)12-9-17/h3-15,26H,2,16H2,1H3/b23-14+InChIKey
FTLDHAZMOISBGM-OEAKJJBVSA-NSynonyms
21168139
ethyl(2~(E))5(13benzodioxol5yl)2((4fluorophenyl)methylidene)3oxo7phenyl5~(H)(13)thiazolo(32a)pyrimidine6carboxylate
ethyl(2E)5(13benzodioxol5yl)2(4fluorobenzylidene)3oxo7phenyl23dihydro5H(13)thiazolo(32a)pyrimidine6carboxylate
InChI=1SC29H21FN2O5Sc123528(34)2425(186435718)312932(26(24)1910132122(1519)37163621)27(33)23(3829)141781120(30)12917h31526H216H21H3b2314+
MFCD04083752
ZINC000100306020
ZINC000100306023
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