Vitas-M small molecule compound
ethyl (2E)-2-{4-[(2-cyanobenzyl)oxy]benzylidene}-5-(2-methoxynaphthalen-1-yl)-3-oxo-7-phenyl-2,3-dihydro-5H-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxylate
Catalog ID
STK675232
SMILES CCOC(=O)C1=C(N=c2n(C1c1c(OC)ccc3c1cccc3)c(=O)/c(=C\c1ccc(cc1)OCc1ccccc1C#N)/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 C41H31N3O5S MW 677.78 g/mol Purity >90% as per NMR
InChI
InChI=1S/C41H31N3O5S/c1-3-48-40(46)36-37(28-12-5-4-6-13-28)43-41-44(38(36)35-32-16-10-9-11-27(32)19-22-33(35)47-2)39(45)34(50-41)23-26-17-20-31(21-18-26)49-25-30-15-8-7-14-29(30)24-42/h4-23,38H,3,25H2,1-2H3/b34-23+InChIKey
BFYBGFYJVQTRFE-PPFNPFNJSA-NSynonyms
CCOC(=O)C1=C(N=c2n(C1c1c(OC)ccc3c1cccc3)c(=O)c(=Cc1ccc(cc1)OCc1ccccc1C#N)s2)c1ccccc1
CCOC(=O)C1=C(N=C2N(C1C3=C(C=CC4=CC=CC=C43)OC)C(=O)C(=CC5=CC=C(C=C5)OCC6=CC=CC=C6C#N)S2)C7=CC=CC=C7
ETHYL(2E)2((4((2CYANOPHENYL)METHOXY)PHENYL)METHYLIDENE)5(2METHOXYNAPHTHALEN1YL)3OXO7PHENYL5H(13)THIAZOLO(32A)PYRIMIDINE6CARBOXYLATE
ethyl(2E)2(4((2cyanobenzyl)oxy)benzylidene)5(2methoxynaphthalen1yl)3oxo7phenyl23dihydro5H(13)thiazolo(32a)pyrimidine6carboxylate
ETHYL2(4((2CYANOBENZYL)OXY)BENZYLIDENE)5(2METHOXY1NAPHTHYL)3OXO7PHENYL23DIHYDRO5H(13)THIAZOLO(32A)PYRIMIDINE6CARBOXYLATE
InChI=1SC41H31N3O5Sc134840(46)3637(28125461328)434144(38(36)3532161091127(32)192233(35)472)39(45)34(5041)2326172031(211826)49253015871429(30)2442h42338H325H212H3b3423+
MFCD01571690
ZINC000008425433
ZINC000008425434
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