Vitas-M small molecule compound
ethyl (2E)-2-(5-bromo-2-hydroxy-3-iodobenzylidene)-5-[4-(dimethylamino)phenyl]-7-methyl-3-oxo-2,3-dihydro-5H-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxylate
Catalog ID
STK674037
SMILES CCOC(=O)C1=C(C)N=c2n(C1c1ccc(cc1)N(C)C)c(=O)/c(=C\c1cc(Br)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 C25H23BrIN3O4S MW 668.35 g/mol Purity >90% as per NMR
InChI
InChI=1S/C25H23BrIN3O4S/c1-5-34-24(33)20-13(2)28-25-30(21(20)14-6-8-17(9-7-14)29(3)4)23(32)19(35-25)11-15-10-16(26)12-18(27)22(15)31/h6-12,21,31H,5H2,1-4H3/b19-11+InChIKey
PVDUULJKXUQOTR-YBFXNURJSA-NSynonyms
CCOC(=O)C1=C(C)N=c2n(C1c1ccc(cc1)N(C)C)c(=O)c(=Cc1cc(Br)cc(c1O)I)s2
CCOC(=O)C1=C(N=C2N(C1C3=CC=C(C=C3)N(C)C)C(=O)C(=CC4=CC(=CC(=C4O)I)Br)S2)C
ethyl(2E)2((5bromo2hydroxy3iodophenyl)methylidene)5(4(dimethylamino)phenyl)7methyl3oxo5H(13)thiazolo(32a)pyrimidine6carboxylate
ETHYL(2E)2((5BROMO2HYDROXY3IODOPHENYL)METHYLIDENE)5(4DIMETHYLAMINOPHENYL)7METHYL3OXO5H(13)THIAZOLO(32A)PYRIMIDINE6CARBOXYLATE
ethyl(2E)2(5bromo2hydroxy3iodobenzylidene)5(4(dimethylamino)phenyl)7methyl3oxo23dihydro5H(13)thiazolo(32a)pyrimidine6carboxylate
ETHYL2(5BROMO2HYDROXY3IODOBENZYLIDENE)5(4(DIMETHYLAMINO)PHENYL)7METHYL3OXO23DIHYDRO5H(13)THIAZOLO(32A)PYRIMIDINE6CARBOXYLATE
InChI=1SC25H23BrIN3O4Sc153424(33)2013(2)282530(21(20)146817(9714)29(3)4)23(32)19(3525)11151016(26)1218(27)22(15)31h6122131H5H214H3b1911+
MFCD01240860
ZINC000008443480
ZINC000008443481
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