Vitas-M small molecule compound
ethyl (2Z)-2-(3-chlorobenzylidene)-7-methyl-5-(3-nitrophenyl)-3-oxo-2,3-dihydro-5H-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxylate
Catalog ID
STK876472
SMILES CCOC(=O)C1=C(C)N=c2n(C1c1cccc(c1)[N+](=O)[O-])c(=O)/c(=C/c1cccc(c1)Cl)/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 C23H18ClN3O5S MW 483.93 g/mol Purity >90% as per NMR
InChI
InChI=1S/C23H18ClN3O5S/c1-3-32-22(29)19-13(2)25-23-26(20(19)15-7-5-9-17(12-15)27(30)31)21(28)18(33-23)11-14-6-4-8-16(24)10-14/h4-12,20H,3H2,1-2H3/b18-11-InChIKey
OZIODIWMKNRWLJ-WQRHYEAKSA-NSynonyms
(Z)ethyl2(3chlorobenzylidene)7methyl5(3nitrophenyl)3oxo35dihydro2Hthiazolo(32a)pyrimidine6carboxylate
CCOC(=O)C1=C(C)N=c2n(C1c1cccc(c1)(N+)(=O)(O))c(=O)c(=Cc1cccc(c1)Cl)s2
CCOC(=O)C1=C(N=C2N(C1C3=CC(=CC=C3)(N+)(=O)(O))C(=O)C(=CC4=CC(=CC=C4)Cl)S2)C
ETHYL(2Z)2((3CHLOROPHENYL)METHYLIDENE)7METHYL5(3NITROPHENYL)3OXO5H(13)THIAZOLO(32A)PYRIMIDINE6CARBOXYLATE
ethyl(2Z)2(3chlorobenzylidene)7methyl5(3nitrophenyl)3oxo23dihydro5H(13)thiazolo(32a)pyrimidine6carboxylate
InChI=1SC23H18ClN3O5Sc133222(29)1913(2)252326(20(19)1575917(1215)27(30)31)21(28)18(3323)111464816(24)1014h41220H3H212H3b1811
MFCD02993720
ZINC000001801538
ZINC000001801542
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