Vitas-M small molecule compound
ethyl (2Z)-2-{[5-(2-bromo-4-nitrophenyl)furan-2-yl]methylidene}-5-(3,4-dimethoxyphenyl)-7-methyl-3-oxo-2,3-dihydro-5H-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxylate
Catalog ID
STK522571
SMILES CCOC(=O)C1=C(C)N=c2n(C1c1ccc(c(c1)OC)OC)c(=O)/c(=C/c1ccc(o1)c1ccc(cc1Br)[N+](=O)[O-])/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 C29H24BrN3O8S MW 654.49 g/mol Purity >90% as per NMR
InChI
InChI=1S/C29H24BrN3O8S/c1-5-40-28(35)25-15(2)31-29-32(26(25)16-6-10-22(38-3)23(12-16)39-4)27(34)24(42-29)14-18-8-11-21(41-18)19-9-7-17(33(36)37)13-20(19)30/h6-14,26H,5H2,1-4H3/b24-14-InChIKey
SSPMQENRMRGTFV-OYKKKHCWSA-NSynonyms
CCOC(=O)C1=C(C)N=c2n(C1c1ccc(c(c1)OC)OC)c(=O)c(=Cc1ccc(o1)c1ccc(cc1Br)(N+)(=O)(O))s2
CCOC(=O)C1=C(N=C2N(C1C3=CC(=C(C=C3)OC)OC)C(=O)C(=CC4=CC=C(O4)C5=C(C=C(C=C5)(N+)(=O)(O))Br)S2)C
ethyl(2Z)2((5(2bromo4nitrophenyl)furan2yl)methylidene)5(34dimethoxyphenyl)7methyl3oxo23dihydro5H(13)thiazolo(32a)pyrimidine6carboxylate
ETHYL(2Z)2((5(2BROMO4NITROPHENYL)FURAN2YL)METHYLIDENE)5(34DIMETHOXYPHENYL)7METHYL3OXO5H(13)THIAZOLO(32A)PYRIMIDINE6CARBOXYLATE
InChI=1SC29H24BrN3O8Sc154028(35)2515(2)312932(26(25)1661022(383)23(1216)394)27(34)24(4229)141881121(4118)199717(33(36)37)1320(19)30h61426H5H214H3b2414
MFCD01592244
ZINC000150416468
ZINC000150416470
Check stock
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Check stock on Vitas-MAvailable files
Download the SDF, MOL, 3D structure and SDS documents from Vitas-M.