Vitas-M small molecule compound
ethyl (2E)-2-(2-hydroxy-3-nitrobenzylidene)-5-(4-methoxyphenyl)-3-oxo-7-phenyl-2,3-dihydro-5H-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxylate
Catalog ID
STK381626
SMILES CCOC(=O)C1=C(N=c2n(C1c1ccc(cc1)OC)c(=O)/c(=C\c1cccc(c1O)[N+](=O)[O-])/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 C29H23N3O7S MW 557.58 g/mol Purity >90% as per NMR
InChI
InChI=1S/C29H23N3O7S/c1-3-39-28(35)23-24(17-8-5-4-6-9-17)30-29-31(25(23)18-12-14-20(38-2)15-13-18)27(34)22(40-29)16-19-10-7-11-21(26(19)33)32(36)37/h4-16,25,33H,3H2,1-2H3/b22-16+InChIKey
RLJFNIAFRUCNAD-CJLVFECKSA-NSynonyms
CCOC(=O)C1=C(N=c2n(C1c1ccc(cc1)OC)c(=O)c(=Cc1cccc(c1O)(N+)(=O)(O))s2)c1ccccc1
CCOC(=O)C1=C(N=C2N(C1C3=CC=C(C=C3)OC)C(=O)C(=CC4=C(C(=CC=C4)(N+)(=O)(O))O)S2)C5=CC=CC=C5
ethyl(2E)2((2hydroxy3nitrophenyl)methylidene)5(4methoxyphenyl)3oxo7phenyl5H(13)thiazolo(32a)pyrimidine6carboxylate
ethyl(2E)2(2hydroxy3nitrobenzylidene)5(4methoxyphenyl)3oxo7phenyl23dihydro5H(13)thiazolo(32a)pyrimidine6carboxylate
InChI=1SC29H23N3O7Sc133928(35)2324(178546917)302931(25(23)18121420(382)151318)27(34)22(4029)16191071121(26(19)33)32(36)37h4162533H3H212H3b2216+
MFCD02915138
ZINC000059222118
ZINC000059222119
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