Vitas-M small molecule compound

ethyl (2E)-5-(4-fluorophenyl)-7-methyl-2-(3-nitrobenzylidene)-3-oxo-2,3-dihydro-5H-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxylate

Catalog ID
STK794520
SMILES CCOC(=O)C1=C(C)N=c2n(C1c1ccc(cc1)F)c(=O)/c(=C\c1cccc(c1)[N+](=O)[O-])/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 C23H18FN3O5S MW 467.48 g/mol Purity >90% as per NMR
InChI
InChI=1S/C23H18FN3O5S/c1-3-32-22(29)19-13(2)25-23-26(20(19)15-7-9-16(24)10-8-15)21(28)18(33-23)12-14-5-4-6-17(11-14)27(30)31/h4-12,20H,3H2,1-2H3/b18-12+
InChIKey
LKLATGALCAJNQF-LDADJPATSA-N
Synonyms
300723-81-3
(E)ethyl5(4fluorophenyl)7methyl2(3nitrobenzylidene)3oxo35dihydro2Hthiazolo(32a)pyrimidine6carboxylate
300723813
CCOC(=O)C1=C(C)N=c2n(C1c1ccc(cc1)F)c(=O)c(=Cc1cccc(c1)(N+)(=O)(O))s2
CCOC(=O)C1=C(N=C2N(C1C3=CC=C(C=C3)F)C(=O)C(=CC4=CC(=CC=C4)(N+)(=O)(O))S2)C
ethyl(2E)5(4fluorophenyl)7methyl2((3nitrophenyl)methylidene)3oxo5H(13)thiazolo(32a)pyrimidine6carboxylate
ethyl(2E)5(4fluorophenyl)7methyl2(3nitrobenzylidene)3oxo23dihydro5H(13)thiazolo(32a)pyrimidine6carboxylate
ETHYL5(4FLUOROPHENYL)7METHYL2((3NITROPHENYL)METHYLENE)3OXO45DIHYDRO13THIAZOLIDINO(32A)PYRIMIDINE6CARBOXYLATE
InChI=1SC23H18FN3O5Sc133222(29)1913(2)252326(20(19)157916(24)10815)21(28)18(3323)121454617(1114)27(30)31h41220H3H212H3b1812+
MFCD02166276
ZINC000009019162
ZINC000013563397

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Available files

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