Vitas-M small molecule compound
ethyl (2E)-2-(3,5-di-tert-butyl-4-hydroxybenzylidene)-5-(4-fluorophenyl)-3-oxo-7-phenyl-2,3-dihydro-5H-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxylate
Catalog ID
STK051591
SMILES CCOC(=O)C1=C(N=c2n(C1c1ccc(cc1)F)c(=O)/c(=C\c1cc(c(c(c1)C(C)(C)C)O)C(C)(C)C)/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 C36H37FN2O4S MW 612.77 g/mol Purity >90% as per NMR
InChI
InChI=1S/C36H37FN2O4S/c1-8-43-33(42)28-29(22-12-10-9-11-13-22)38-34-39(30(28)23-14-16-24(37)17-15-23)32(41)27(44-34)20-21-18-25(35(2,3)4)31(40)26(19-21)36(5,6)7/h9-20,30,40H,8H2,1-7H3/b27-20+InChIKey
NHQWAMHEFJBDNW-NHFJDJAPSA-NSynonyms
CCOC(=O)C1=C(N=c2n(C1c1ccc(cc1)F)c(=O)c(=Cc1cc(c(c(c1)C(C)(C)C)O)C(C)(C)C)s2)c1ccccc1
CCOC(=O)C1=C(N=C2N(C1C3=CC=C(C=C3)F)C(=O)C(=CC4=CC(=C(C(=C4)C(C)(C)C)O)C(C)(C)C)S2)C5=CC=CC=C5
ethyl(2E)2((35ditertbutyl4hydroxyphenyl)methylidene)5(4fluorophenyl)3oxo7phenyl5H(13)thiazolo(32a)pyrimidine6carboxylate
ETHYL(2E)2(35DITERTBUTYL4HYDROXYBENZYLIDENE)5(4FLUOROPHENYL)3OXO7PHENYL23DIHYDRO5H(13)THIAZOLO(32A)PYRIMIDINE6CARBOXYLATE
InChI=1SC36H37FN2O4Sc184333(42)2829(2212109111322)383439(30(28)23141624(37)171523)32(41)27(4434)20211825(35(23)4)31(40)26(1921)36(56)7h9203040H8H217H3b2720+
MFCD04083722
STK051591
ZINC000097958683
ZINC000097958684
Check stock
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Check stock on Vitas-MAvailable files
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