Vitas-M small molecule compound
ethyl (2E)-5-(1,3-benzodioxol-5-yl)-2-(3-iodo-4-methoxybenzylidene)-7-methyl-3-oxo-2,3-dihydro-5H-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxylate
Catalog ID
STK674204
SMILES CCOC(=O)C1=C(C)N=c2n(C1c1ccc3c(c1)OCO3)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 C25H21IN2O6S MW 604.42 g/mol Purity >90% as per NMR
InChI
InChI=1S/C25H21IN2O6S/c1-4-32-24(30)21-13(2)27-25-28(22(21)15-6-8-18-19(11-15)34-12-33-18)23(29)20(35-25)10-14-5-7-17(31-3)16(26)9-14/h5-11,22H,4,12H2,1-3H3/b20-10+InChIKey
KJXNUXFPWALMME-KEBDBYFISA-NSynonyms
CCOC(=O)C1=C(C)N=c2n(C1c1ccc3c(c1)OCO3)c(=O)c(=Cc1ccc(c(c1)I)OC)s2
CCOC(=O)C1=C(N=C2N(C1C3=CC4=C(C=C3)OCO4)C(=O)C(=CC5=CC(=C(C=C5)OC)I)S2)C
ETHYL(2E)5(13BENZODIOXOL5YL)2((3IODO4METHOXYPHENYL)METHYLIDENE)7METHYL3OXO5H(13)THIAZOLO(32A)PYRIMIDINE6CARBOXYLATE
ethyl(2E)5(13benzodioxol5yl)2(3iodo4methoxybenzylidene)7methyl3oxo23dihydro5H(13)thiazolo(32a)pyrimidine6carboxylate
InChI=1SC25H21IN2O6Sc143224(30)2113(2)272528(22(21)15681819(1115)34123318)23(29)20(3525)10145717(313)16(26)914h51122H412H213H3b2010+
MFCD01207412
ZINC000100065731
ZINC000100065734
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