Vitas-M small molecule compound
ethyl (2Z)-7-methyl-3-oxo-5-[2-(propan-2-yloxy)phenyl]-2-({5-[3-(trifluoromethyl)phenyl]furan-2-yl}methylidene)-2,3-dihydro-5H-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxylate
Catalog ID
STK392864
SMILES CCOC(=O)C1=C(C)N=c2n(C1c1ccccc1OC(C)C)c(=O)/c(=C/c1ccc(o1)c1cccc(c1)C(F)(F)F)/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 C31H27F3N2O5S MW 596.63 g/mol Purity >90% as per NMR
InChI
InChI=1S/C31H27F3N2O5S/c1-5-39-29(38)26-18(4)35-30-36(27(26)22-11-6-7-12-24(22)40-17(2)3)28(37)25(42-30)16-21-13-14-23(41-21)19-9-8-10-20(15-19)31(32,33)34/h6-17,27H,5H2,1-4H3/b25-16-InChIKey
WDEPNCNDDLGDNR-XYGWBWBKSA-NSynonyms
CCOC(=O)C1=C(C)N=c2n(C1c1ccccc1OC(C)C)c(=O)c(=Cc1ccc(o1)c1cccc(c1)C(F)(F)F)s2
CCOC(=O)C1=C(N=C2N(C1C3=CC=CC=C3OC(C)C)C(=O)C(=CC4=CC=C(O4)C5=CC(=CC=C5)C(F)(F)F)S2)C
ethyl(2Z)7methyl3oxo5(2(propan2yloxy)phenyl)2((5(3(trifluoromethyl)phenyl)furan2yl)methylidene)23dihydro5H(13)thiazolo(32a)pyrimidine6carboxylate
ETHYL(2Z)7METHYL3OXO5(2PROPAN2YLOXYPHENYL)2((5(3(TRIFLUOROMETHYL)PHENYL)FURAN2YL)METHYLIDENE)5H(13)THIAZOLO(32A)PYRIMIDINE6CARBOXYLATE
ETHYL7METHYL5(2(METHYLETHOXY)PHENYL)3OXO2((5(3(TRIFLUOROMETHYL)PHENYL)(2FURYL))METHYLENE)45DIHYDRO13THIAZOLIDINO(32A)PYRIMIDINE6CARBOXYLATE
InChI=1SC31H27F3N2O5Sc153929(38)2618(4)353036(27(26)2211671224(22)4017(2)3)28(37)25(4230)1621131423(4121)19981020(1519)31(3233)34h61727H5H214H3b2516
MFCD03103664
ZINC000097964090
ZINC000097964091
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