Vitas-M small molecule compound
ethyl (2Z)-5-(4-ethoxyphenyl)-2-[(5-nitrofuran-2-yl)methylidene]-3-oxo-7-phenyl-2,3-dihydro-5H-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxylate
Catalog ID
STL164257
SMILES CCOC(=O)C1=C(N=c2n(C1c1ccc(cc1)OCC)c(=O)/c(=C/c1ccc(o1)[N+](=O)[O-])/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 C28H23N3O7S MW 545.57 g/mol Purity >90% as per NMR
InChI
InChI=1S/C28H23N3O7S/c1-3-36-19-12-10-18(11-13-19)25-23(27(33)37-4-2)24(17-8-6-5-7-9-17)29-28-30(25)26(32)21(39-28)16-20-14-15-22(38-20)31(34)35/h5-16,25H,3-4H2,1-2H3/b21-16-InChIKey
XKLAZIIHWIAVKN-PGMHBOJBSA-NSynonyms
CCOC(=O)C1=C(N=c2n(C1c1ccc(cc1)OCC)c(=O)c(=Cc1ccc(o1)(N+)(=O)(O))s2)c1ccccc1
CCOC1=CC=C(C=C1)C2C(=C(N=C3N2C(=O)C(=CC4=CC=C(O4)(N+)(=O)(O))S3)C5=CC=CC=C5)C(=O)OCC
ethyl(2Z)5(4ethoxyphenyl)2((5nitrofuran2yl)methylidene)3oxo7phenyl23dihydro5H(13)thiazolo(32a)pyrimidine6carboxylate
ETHYL(2Z)5(4ETHOXYPHENYL)2((5NITROFURAN2YL)METHYLIDENE)3OXO7PHENYL5H(13)THIAZOLO(32A)PYRIMIDINE6CARBOXYLATE
ETHYL5(4ETHOXYPHENYL)2((5NITRO2FURYL)METHYLENE)3OXO7PHENYL23DIHYDRO5H(13)THIAZOLO(32A)PYRIMIDINE6CARBOXYLATE
InChI=1SC28H23N3O7Sc133619121018(111319)2523(27(33)3742)24(178657917)292830(25)26(32)21(3928)1620141522(3820)31(34)35h51625H34H212H3b2116
MFCD02374414
ZINC000002049600
ZINC000002049602
Check stock
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Check stock on Vitas-MAvailable files
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