Vitas-M small molecule compound
ethyl (2E)-2-(2-bromo-4-hydroxy-5-methoxybenzylidene)-5-(2-methoxynaphthalen-1-yl)-3-oxo-7-phenyl-2,3-dihydro-5H-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxylate
Catalog ID
STK675336
SMILES CCOC(=O)C1=C(N=c2n(C1c1c(OC)ccc3c1cccc3)c(=O)/c(=C\c1cc(OC)c(cc1Br)O)/s2)c1ccccc1
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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 C34H27BrN2O6S MW 671.57 g/mol Purity >90% as per NMR
InChI
InChI=1S/C34H27BrN2O6S/c1-4-43-33(40)29-30(20-11-6-5-7-12-20)36-34-37(31(29)28-22-13-9-8-10-19(22)14-15-25(28)41-2)32(39)27(44-34)17-21-16-26(42-3)24(38)18-23(21)35/h5-18,31,38H,4H2,1-3H3/b27-17+InChIKey
KXQJMDCEYMZYBV-WPWMEQJKSA-NSynonyms
CCOC(=O)C1=C(N=c2n(C1c1c(OC)ccc3c1cccc3)c(=O)c(=Cc1cc(OC)c(cc1Br)O)s2)c1ccccc1
CCOC(=O)C1=C(N=C2N(C1C3=C(C=CC4=CC=CC=C43)OC)C(=O)C(=CC5=CC(=C(C=C5Br)O)OC)S2)C6=CC=CC=C6
ETHYL(2E)2((2BROMO4HYDROXY5METHOXYPHENYL)METHYLIDENE)5(2METHOXYNAPHTHALEN1YL)3OXO7PHENYL5H(13)THIAZOLO(32A)PYRIMIDINE6CARBOXYLATE
ethyl(2E)2(2bromo4hydroxy5methoxybenzylidene)5(2methoxynaphthalen1yl)3oxo7phenyl23dihydro5H(13)thiazolo(32a)pyrimidine6carboxylate
InChI=1SC34H27BrN2O6Sc144333(40)2930(20116571220)363437(31(29)282213981019(22)141525(28)412)32(39)27(4434)17211626(423)24(38)1823(21)35h5183138H4H213H3b2717+
MFCD01572079
ZINC000097966119
ZINC000097966120
Check stock
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Check stock on Vitas-MAvailable files
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