Vitas-M small molecule compound
ethyl (2Z)-7-methyl-5-(4-methylphenyl)-2-{[5-(3-nitrophenyl)furan-2-yl]methylidene}-3-oxo-2,3-dihydro-5H-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxylate
Catalog ID
STL484840
SMILES CCOC(=O)C1=C(C)N=c2n(C1c1ccc(cc1)C)c(=O)/c(=C/c1ccc(o1)c1cccc(c1)[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 C28H23N3O6S MW 529.57 g/mol Purity >90% as per NMR
InChI
InChI=1S/C28H23N3O6S/c1-4-36-27(33)24-17(3)29-28-30(25(24)18-10-8-16(2)9-11-18)26(32)23(38-28)15-21-12-13-22(37-21)19-6-5-7-20(14-19)31(34)35/h5-15,25H,4H2,1-3H3/b23-15-InChIKey
FNIPDFKKTFVXEF-HAHDFKILSA-NSynonyms
CCOC(=O)C1=C(C)N=c2n(C1c1ccc(cc1)C)c(=O)c(=Cc1ccc(o1)c1cccc(c1)(N+)(=O)(O))s2
CCOC(=O)C1=C(N=C2N(C1C3=CC=C(C=C3)C)C(=O)C(=CC4=CC=C(O4)C5=CC(=CC=C5)(N+)(=O)(O))S2)C
ethyl(2Z)7methyl5(4methylphenyl)2((5(3nitrophenyl)furan2yl)methylidene)3oxo23dihydro5H(13)thiazolo(32a)pyrimidine6carboxylate
ETHYL(2Z)7METHYL5(4METHYLPHENYL)2((5(3NITROPHENYL)FURAN2YL)METHYLIDENE)3OXO5H(13)THIAZOLO(32A)PYRIMIDINE6CARBOXYLATE
InChI=1SC28H23N3O6Sc143627(33)2417(3)292830(25(24)1810816(2)91118)26(32)23(3828)1521121322(3721)1965720(1419)31(34)35h51525H4H213H3b2315
MFCD01140735
ZINC000002920364
ZINC000002920369
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