Vitas-M small molecule compound

ethyl (2Z)-5-(4-chlorophenyl)-2-(2-hydroxy-3,5-diiodobenzylidene)-7-methyl-3-oxo-2,3-dihydro-5H-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxylate

Catalog ID
STK522592
SMILES CCOC(=O)C1=C(C)N=c2n(C1c1ccc(cc1)Cl)c(=O)/c(=C/c1cc(I)cc(c1O)I)/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 C23H17ClI2N2O4S MW 706.73 g/mol Purity >90% as per NMR
InChI
InChI=1S/C23H17ClI2N2O4S/c1-3-32-22(31)18-11(2)27-23-28(19(18)12-4-6-14(24)7-5-12)21(30)17(33-23)9-13-8-15(25)10-16(26)20(13)29/h4-10,19,29H,3H2,1-2H3/b17-9-
InChIKey
WGYCTEWTKIKDET-MFOYZWKCSA-N
Synonyms

CCOC(=O)C1=C(C)N=c2n(C1c1ccc(cc1)Cl)c(=O)c(=Cc1cc(I)cc(c1O)I)s2
CCOC(=O)C1=C(N=C2N(C1C3=CC=C(C=C3)Cl)C(=O)C(=CC4=CC(=CC(=C4O)I)I)S2)C
ETHYL(2Z)5(4CHLOROPHENYL)2((2HYDROXY35DIIODOPHENYL)METHYLIDENE)7METHYL3OXO5H(13)THIAZOLO(32A)PYRIMIDINE6CARBOXYLATE
ethyl(2Z)5(4chlorophenyl)2(2hydroxy35diiodobenzylidene)7methyl3oxo23dihydro5H(13)thiazolo(32a)pyrimidine6carboxylate
InChI=1SC23H17ClI2N2O4Sc133222(31)1811(2)272328(19(18)124614(24)7512)21(30)17(3323)913815(25)1016(26)20(13)29h4101929H3H212H3b179
MFCD01592400
ZINC000096022237
ZINC000096022238

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Available files

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