Vitas-M small molecule compound

ethyl (2Z)-5-(2,5-dimethoxyphenyl)-2-[(5-nitrofuran-2-yl)methylidene]-3-oxo-7-propyl-2,3-dihydro-5H-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxylate

Catalog ID
STK380834
SMILES CCCC1=C(C(=O)OCC)C(n2c(=N1)s/c(=C\c1ccc(o1)[N+](=O)[O-])/c2=O)c1cc(OC)ccc1OC

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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 C25H25N3O8S MW 527.55 g/mol Purity >90% as per NMR
InChI
InChI=1S/C25H25N3O8S/c1-5-7-17-21(24(30)35-6-2)22(16-12-14(33-3)8-10-18(16)34-4)27-23(29)19(37-25(27)26-17)13-15-9-11-20(36-15)28(31)32/h8-13,22H,5-7H2,1-4H3/b19-13-
InChIKey
GCMDVGKRNFIJRK-UYRXBGFRSA-N
Synonyms

CCCC1=C(C(=O)OCC)C(n2c(=N1)sc(=Cc1ccc(o1)(N+)(=O)(O))c2=O)c1cc(OC)ccc1OC
CCCC1=C(C(N2C(=O)C(=CC3=CC=C(O3)(N+)(=O)(O))SC2=N1)C4=C(C=CC(=C4)OC)OC)C(=O)OCC
ethyl(2Z)5(25dimethoxyphenyl)2((5nitrofuran2yl)methylidene)3oxo7propyl23dihydro5H(13)thiazolo(32a)pyrimidine6carboxylate
ETHYL(2Z)5(25DIMETHOXYPHENYL)2((5NITROFURAN2YL)METHYLIDENE)3OXO7PROPYL5H(13)THIAZOLO(32A)PYRIMIDINE6CARBOXYLATE
ETHYL5(25DIMETHOXYPHENYL)2((5NITRO(2FURYL))METHYLENE)3OXO7PROPYL45DIHYDRO13THIAZOLIDINO(32A)PYRIMIDINE6CARBOXYLATE
InChI=1SC25H25N3O8Sc1571721(24(30)3562)22(161214(333)81018(16)344)2723(29)19(3725(27)2617)131591120(3615)28(31)32h81322H57H214H3b1913
MFCD02761885
ZINC000003771230
ZINC000003771232

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Available files

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