Vitas-M small molecule compound
ethyl (2Z)-5-[4-(dimethylamino)phenyl]-2-(3-iodo-4-methoxybenzylidene)-7-methyl-3-oxo-2,3-dihydro-5H-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxylate
Catalog ID
STK106437
SMILES CCOC(=O)C1=C(C)N=c2n(C1c1ccc(cc1)N(C)C)c(=O)/c(=C/c1ccc(c(c1)I)OC)/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 C26H26IN3O4S MW 603.48 g/mol Purity >90% as per NMR
InChI
InChI=1S/C26H26IN3O4S/c1-6-34-25(32)22-15(2)28-26-30(23(22)17-8-10-18(11-9-17)29(3)4)24(31)21(35-26)14-16-7-12-20(33-5)19(27)13-16/h7-14,23H,6H2,1-5H3/b21-14-InChIKey
BVHASTDTEGIKNB-STZFKDTASA-NSynonyms
CCOC(=O)C1=C(C)N=c2n(C1c1ccc(cc1)N(C)C)c(=O)c(=Cc1ccc(c(c1)I)OC)s2
CCOC(=O)C1=C(N=C2N(C1C3=CC=C(C=C3)N(C)C)C(=O)C(=CC4=CC(=C(C=C4)OC)I)S2)C
ethyl(2Z)5(4(dimethylamino)phenyl)2((3iodo4methoxyphenyl)methylidene)7methyl3oxo5H(13)thiazolo(32a)pyrimidine6carboxylate
ETHYL(2Z)5(4(DIMETHYLAMINO)PHENYL)2(3IODO4METHOXYBENZYLIDENE)7METHYL3OXO23DIHYDRO5H(13)THIAZOLO(32A)PYRIMIDINE6CARBOXYLATE
ETHYL(2Z)5(4DIMETHYLAMINOPHENYL)2((3IODO4METHOXYPHENYL)METHYLIDENE)7METHYL3OXO5H(13)THIAZOLO(32A)PYRIMIDINE6CARBOXYLATE
ETHYL5(4(DIMETHYLAMINO)PHENYL)2((3IODO4METHOXYPHENYL)METHYLENE)7METHYL3OXO45DIHYDRO13THIAZOLIDINO(32A)PYRIMIDINE6CARBOXYLATE
InChI=1SC26H26IN3O4Sc163425(32)2215(2)282630(23(22)1781018(11917)29(3)4)24(31)21(3526)141671220(335)19(27)1316h71423H6H215H3b2114
MFCD01062018
ZINC000006545066
ZINC000006545071
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