Vitas-M small molecule compound
ethyl (2Z)-5-(1,3-benzodioxol-5-yl)-2-(5-bromo-2-hydroxy-3-iodobenzylidene)-7-methyl-3-oxo-2,3-dihydro-5H-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxylate
Catalog ID
STK522649
SMILES CCOC(=O)C1=C(C)N=c2n(C1c1ccc3c(c1)OCO3)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 C24H18BrIN2O6S MW 669.29 g/mol Purity >90% as per NMR
InChI
InChI=1S/C24H18BrIN2O6S/c1-3-32-23(31)19-11(2)27-24-28(20(19)12-4-5-16-17(7-12)34-10-33-16)22(30)18(35-24)8-13-6-14(25)9-15(26)21(13)29/h4-9,20,29H,3,10H2,1-2H3/b18-8-InChIKey
PXTZYKZMYDVBHH-LSCVHKIXSA-NSynonyms
CCOC(=O)C1=C(C)N=c2n(C1c1ccc3c(c1)OCO3)c(=O)c(=Cc1cc(Br)cc(c1O)I)s2
CCOC(=O)C1=C(N=C2N(C1C3=CC4=C(C=C3)OCO4)C(=O)C(=CC5=CC(=CC(=C5O)I)Br)S2)C
ETHYL(2Z)5(13BENZODIOXOL5YL)2((5BROMO2HYDROXY3IODOPHENYL)METHYLIDENE)7METHYL3OXO5H(13)THIAZOLO(32A)PYRIMIDINE6CARBOXYLATE
ethyl(2Z)5(13benzodioxol5yl)2(5bromo2hydroxy3iodobenzylidene)7methyl3oxo23dihydro5H(13)thiazolo(32a)pyrimidine6carboxylate
InChI=1SC24H18BrIN2O6Sc133223(31)1911(2)272428(20(19)12451617(712)34103316)22(30)18(3524)813614(25)915(26)21(13)29h492029H310H212H3b188
MFCD01593361
ZINC000033353460
ZINC000033353461
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