Vitas-M small molecule compound

ethyl (2E)-7-methyl-5-(3-nitrophenyl)-3-oxo-2-[(2E)-3-phenylprop-2-en-1-ylidene]-2,3-dihydro-5H-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxylate

Catalog ID
STK834638
SMILES CCOC(=O)C1=C(C)N=c2n(C1c1cccc(c1)[N+](=O)[O-])c(=O)/c(=C\C=C\c1ccccc1)/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 C25H21N3O5S MW 475.52 g/mol Purity >90% as per NMR
InChI
InChI=1S/C25H21N3O5S/c1-3-33-24(30)21-16(2)26-25-27(22(21)18-12-8-13-19(15-18)28(31)32)23(29)20(34-25)14-7-11-17-9-5-4-6-10-17/h4-15,22H,3H2,1-2H3/b11-7+,20-14+
InChIKey
SASHCWWFWKGBAE-OIFMPOKBSA-N
Synonyms
324070-72-6
(E)ethyl7methyl5(3nitrophenyl)3oxo2((E)3phenylallylidene)35dihydro2Hthiazolo(32a)pyrimidine6carboxylate
324070726
CCOC(=O)C1=C(C)N=c2n(C1c1cccc(c1)(N+)(=O)(O))c(=O)c(=CC=Cc1ccccc1)s2
CCOC(=O)C1=C(N=C2N(C1C3=CC(=CC=C3)(N+)(=O)(O))C(=O)C(=CC=CC4=CC=CC=C4)S2)C
ethyl(2E)7methyl5(3nitrophenyl)3oxo2((2E)3phenylprop2en1ylidene)23dihydro5H(13)thiazolo(32a)pyrimidine6carboxylate
ETHYL(2E)7METHYL5(3NITROPHENYL)3OXO2((E)3PHENYLPROP2ENYLIDENE)5H(13)THIAZOLO(32A)PYRIMIDINE6CARBOXYLATE
InChI=1SC25H21N3O5Sc133324(30)2116(2)262527(22(21)181281319(1518)28(31)32)23(29)20(3425)147111795461017h41522H3H212H3b117+2014+
MFCD01558627
ZINC000008951189
ZINC000013755990

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Available files

Download the SDF, MOL, 3D structure and SDS documents from Vitas-M.