Vitas-M small molecule compound
ethyl (2Z)-2-{[5-(2,5-dichloro-4-nitrophenyl)furan-2-yl]methylidene}-5-(4-fluorophenyl)-7-methyl-3-oxo-2,3-dihydro-5H-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxylate
Catalog ID
STL181367
SMILES CCOC(=O)C1=C(C)N=c2n(C1c1ccc(cc1)F)c(=O)/c(=C/c1ccc(o1)c1cc(Cl)c(cc1Cl)[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 C27H18Cl2FN3O6S MW 602.43 g/mol Purity >90% as per NMR
InChI
InChI=1S/C27H18Cl2FN3O6S/c1-3-38-26(35)23-13(2)31-27-32(24(23)14-4-6-15(30)7-5-14)25(34)22(40-27)10-16-8-9-21(39-16)17-11-19(29)20(33(36)37)12-18(17)28/h4-12,24H,3H2,1-2H3/b22-10-InChIKey
DZKLALZBEYYUJL-YVNNLAQVSA-NSynonyms
CCOC(=O)C1=C(C)N=c2n(C1c1ccc(cc1)F)c(=O)c(=Cc1ccc(o1)c1cc(Cl)c(cc1Cl)(N+)(=O)(O))s2
CCOC(=O)C1=C(N=C2N(C1C3=CC=C(C=C3)F)C(=O)C(=CC4=CC=C(O4)C5=CC(=C(C=C5Cl)(N+)(=O)(O))Cl)S2)C
ethyl(2Z)2((5(25dichloro4nitrophenyl)furan2yl)methylidene)5(4fluorophenyl)7methyl3oxo23dihydro5H(13)thiazolo(32a)pyrimidine6carboxylate
ETHYL(2Z)2((5(25DICHLORO4NITROPHENYL)FURAN2YL)METHYLIDENE)5(4FLUOROPHENYL)7METHYL3OXO5H(13)THIAZOLO(32A)PYRIMIDINE6CARBOXYLATE
InChI=1SC27H18Cl2FN3O6Sc133826(35)2313(2)312732(24(23)144615(30)7514)25(34)22(4027)10168921(3916)171119(29)20(33(36)37)1218(17)28h41224H3H212H3b2210
MFCD02374206
ZINC000102450480
ZINC000102450486
Check stock
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Check stock on Vitas-MAvailable files
Download the SDF, MOL, 3D structure and SDS documents from Vitas-M.