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ethyl (2Z)-2-[4-(2,4-dinitrophenoxy)-3-iodo-5-methoxybenzylidene]-5-(4-ethoxyphenyl)-7-methyl-3-oxo-2,3-dihydro-5H-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxylate

Catalog ID
STL366067
SMILES CCOC(=O)C1=C(C)N=c2n(C1c1ccc(cc1)OCC)c(=O)/c(=C/c1cc(I)c(c(c1)OC)Oc1ccc(cc1[N+](=O)[O-])[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 C32H27IN4O10S MW 786.56 g/mol Purity >90% as per NMR
InChI
InChI=1S/C32H27IN4O10S/c1-5-45-21-10-7-19(8-11-21)28-27(31(39)46-6-2)17(3)34-32-35(28)30(38)26(48-32)15-18-13-22(33)29(25(14-18)44-4)47-24-12-9-20(36(40)41)16-23(24)37(42)43/h7-16,28H,5-6H2,1-4H3/b26-15-
InChIKey
HIXSWTDUCDIQOM-YSMPRRRNSA-N
Synonyms

CCOC(=O)C1=C(C)N=c2n(C1c1ccc(cc1)OCC)c(=O)c(=Cc1cc(I)c(c(c1)OC)Oc1ccc(cc1(N+)(=O)(O))(N+)(=O)(O))s2
CCOC1=CC=C(C=C1)C2C(=C(N=C3N2C(=O)C(=CC4=CC(=C(C(=C4)I)OC5=C(C=C(C=C5)(N+)(=O)(O))(N+)(=O)(O))OC)S3)C)C(=O)OCC
ethyl(2Z)2((4(24dinitrophenoxy)3iodo5methoxyphenyl)methylidene)5(4ethoxyphenyl)7methyl3oxo5H(13)thiazolo(32a)pyrimidine6carboxylate
ethyl(2Z)2(4(24dinitrophenoxy)3iodo5methoxybenzylidene)5(4ethoxyphenyl)7methyl3oxo23dihydro5H(13)thiazolo(32a)pyrimidine6carboxylate
InChI=1SC32H27IN4O10Sc15452110719(81121)2827(31(39)4662)17(3)343235(28)30(38)26(4832)15181322(33)29(25(1418)444)472412920(36(40)41)1623(24)37(42)43h71628H56H214H3b2615
MFCD13886043
ZINC000150376132
ZINC000150376134

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Available files

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