Vitas-M small molecule compound
ethyl (2Z)-2-{3-[(4-fluorobenzyl)oxy]benzylidene}-7-methyl-3-oxo-5-[2-(propan-2-yloxy)phenyl]-2,3-dihydro-5H-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxylate
Catalog ID
STL444645
SMILES CCOC(=O)C1=C(C)N=c2n(C1c1ccccc1OC(C)C)c(=O)/c(=C/c1cccc(c1)OCc1ccc(cc1)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 C33H31FN2O5S MW 586.68 g/mol Purity >90% as per NMR
InChI
InChI=1S/C33H31FN2O5S/c1-5-39-32(38)29-21(4)35-33-36(30(29)26-11-6-7-12-27(26)41-20(2)3)31(37)28(42-33)18-23-9-8-10-25(17-23)40-19-22-13-15-24(34)16-14-22/h6-18,20,30H,5,19H2,1-4H3/b28-18-InChIKey
IOSUMFKSJQJERX-VEILYXNESA-NSynonyms
CCOC(=O)C1=C(C)N=c2n(C1c1ccccc1OC(C)C)c(=O)c(=Cc1cccc(c1)OCc1ccc(cc1)F)s2
CCOC(=O)C1=C(N=C2N(C1C3=CC=CC=C3OC(C)C)C(=O)C(=CC4=CC(=CC=C4)OCC5=CC=C(C=C5)F)S2)C
ETHYL(2Z)2((3((4FLUOROPHENYL)METHOXY)PHENYL)METHYLIDENE)7METHYL3OXO5(2PROPAN2YLOXYPHENYL)5H(13)THIAZOLO(32A)PYRIMIDINE6CARBOXYLATE
ethyl(2Z)2(3((4fluorobenzyl)oxy)benzylidene)7methyl3oxo5(2(propan2yloxy)phenyl)23dihydro5H(13)thiazolo(32a)pyrimidine6carboxylate
InChI=1SC33H31FN2O5Sc153932(38)2921(4)353336(30(29)2611671227(26)4120(2)3)31(37)28(4233)1823981025(1723)401922131524(34)161422h6182030H519H214H3b2818
MFCD03166986
ZINC000003770394
ZINC000003770396
Check stock
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Check stock on Vitas-MAvailable files
Download the SDF, MOL, 3D structure and SDS documents from Vitas-M.