Vitas-M small molecule compound

ethyl (2Z)-2-[(5-bromofuran-2-yl)methylidene]-5-(4-methoxyphenyl)-7-methyl-3-oxo-2,3-dihydro-5H-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxylate

Catalog ID
STL412141
SMILES CCOC(=O)C1=C(C)N=c2n(C1c1ccc(cc1)OC)c(=O)/c(=C/c1ccc(o1)Br)/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 C22H19BrN2O5S MW 503.37 g/mol Purity >90% as per NMR
InChI
InChI=1S/C22H19BrN2O5S/c1-4-29-21(27)18-12(2)24-22-25(19(18)13-5-7-14(28-3)8-6-13)20(26)16(31-22)11-15-9-10-17(23)30-15/h5-11,19H,4H2,1-3H3/b16-11-
InChIKey
KJDIKYQRIADKML-WJDWOHSUSA-N
Synonyms

CCOC(=O)C1=C(C)N=c2n(C1c1ccc(cc1)OC)c(=O)c(=Cc1ccc(o1)Br)s2
CCOC(=O)C1=C(N=C2N(C1C3=CC=C(C=C3)OC)C(=O)C(=CC4=CC=C(O4)Br)S2)C
ethyl(2Z)2((5bromofuran2yl)methylidene)5(4methoxyphenyl)7methyl3oxo23dihydro5H(13)thiazolo(32a)pyrimidine6carboxylate
ETHYL(2Z)2((5BROMOFURAN2YL)METHYLIDENE)5(4METHOXYPHENYL)7METHYL3OXO5H(13)THIAZOLO(32A)PYRIMIDINE6CARBOXYLATE
InChI=1SC22H19BrN2O5Sc142921(27)1812(2)242225(19(18)135714(283)8613)20(26)16(3122)111591017(23)3015h51119H4H213H3b1611
MFCD01592623
ZINC000001217160
ZINC000015659645

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Available files

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