Vitas-M small molecule compound
ethyl (2E)-2-(4-hydroxy-3-iodo-5-methoxybenzylidene)-7-methyl-3-oxo-5-(thiophen-2-yl)-2,3-dihydro-5H-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxylate
Catalog ID
STK674630
SMILES CCOC(=O)C1=C(C)N=c2n(C1c1cccs1)c(=O)/c(=C\c1cc(I)c(c(c1)OC)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 C22H19IN2O5S2 MW 582.44 g/mol Purity >90% as per NMR
InChI
InChI=1S/C22H19IN2O5S2/c1-4-30-21(28)17-11(2)24-22-25(18(17)15-6-5-7-31-15)20(27)16(32-22)10-12-8-13(23)19(26)14(9-12)29-3/h5-10,18,26H,4H2,1-3H3/b16-10+InChIKey
UOQLHWUVPHZXHQ-MHWRWJLKSA-NSynonyms
CCOC(=O)C1=C(C)N=c2n(C1c1cccs1)c(=O)c(=Cc1cc(I)c(c(c1)OC)O)s2
CCOC(=O)C1=C(N=C2N(C1C3=CC=CS3)C(=O)C(=CC4=CC(=C(C(=C4)I)O)OC)S2)C
ETHYL(2E)2((4HYDROXY3IODO5METHOXYPHENYL)METHYLIDENE)7METHYL3OXO5THIOPHEN2YL5H(13)THIAZOLO(32A)PYRIMIDINE6CARBOXYLATE
ethyl(2E)2(4hydroxy3iodo5methoxybenzylidene)7methyl3oxo5(thiophen2yl)23dihydro5H(13)thiazolo(32a)pyrimidine6carboxylate
ETHYL2(4HYDROXY3IODO5METHOXYBENZYLIDENE)7METHYL3OXO5(2THIENYL)23DIHYDRO5H(13)THIAZOLO(32A)PYRIMIDINE6CARBOXYLATE
InChI=1SC22H19IN2O5S2c143021(28)1711(2)242225(18(17)156573115)20(27)16(3222)1012813(23)19(26)14(912)293h5101826H4H213H3b1610+
MFCD01460142
ZINC000008424448
ZINC000008424450
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