Vitas-M small molecule compound
ethyl (2E)-2-{[5-(4-chloro-3-nitrophenyl)furan-2-yl]methylidene}-7-methyl-3-oxo-5-phenyl-2,3-dihydro-5H-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxylate
Catalog ID
STL407047
SMILES CCOC(=O)C1=C(C)N=c2n(C1c1ccccc1)c(=O)/c(=C\c1ccc(o1)c1ccc(c(c1)[N+](=O)[O-])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 C27H20ClN3O6S MW 549.99 g/mol Purity >90% as per NMR
InChI
InChI=1S/C27H20ClN3O6S/c1-3-36-26(33)23-15(2)29-27-30(24(23)16-7-5-4-6-8-16)25(32)22(38-27)14-18-10-12-21(37-18)17-9-11-19(28)20(13-17)31(34)35/h4-14,24H,3H2,1-2H3/b22-14+InChIKey
KONFUVZTEFYUDC-HYARGMPZSA-NSynonyms
CCOC(=O)C1=C(C)N=c2n(C1c1ccccc1)c(=O)c(=Cc1ccc(o1)c1ccc(c(c1)(N+)(=O)(O))Cl)s2
CCOC(=O)C1=C(N=C2N(C1C3=CC=CC=C3)C(=O)C(=CC4=CC=C(O4)C5=CC(=C(C=C5)Cl)(N+)(=O)(O))S2)C
ethyl(2E)2((5(4chloro3nitrophenyl)furan2yl)methylidene)7methyl3oxo5phenyl23dihydro5H(13)thiazolo(32a)pyrimidine6carboxylate
ethyl(2E)2((5(4chloro3nitrophenyl)furan2yl)methylidene)7methyl3oxo5phenyl5H(13)thiazolo(32a)pyrimidine6carboxylate
InChI=1SC27H20ClN3O6Sc133626(33)2315(2)292730(24(23)167546816)25(32)22(3827)1418101221(3718)1791119(28)20(1317)31(34)35h41424H3H212H3b2214+
MFCD01207401
ZINC000100174498
ZINC000100174503
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