Vitas-M small molecule compound
ethyl (2E)-2-(3-chloro-4-hydroxy-5-methoxybenzylidene)-7-methyl-5-(naphthalen-1-yl)-3-oxo-2,3-dihydro-5H-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxylate
Catalog ID
STK266156
SMILES CCOC(=O)C1=C(C)N=c2n(C1c1cccc3c1cccc3)c(=O)/c(=C\c1cc(Cl)c(c(c1)OC)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 C28H23ClN2O5S MW 535.02 g/mol Purity >90% as per NMR
InChI
InChI=1S/C28H23ClN2O5S/c1-4-36-27(34)23-15(2)30-28-31(24(23)19-11-7-9-17-8-5-6-10-18(17)19)26(33)22(37-28)14-16-12-20(29)25(32)21(13-16)35-3/h5-14,24,32H,4H2,1-3H3/b22-14+InChIKey
WWOWGEUJIMVJTI-HYARGMPZSA-NSynonyms
CCOC(=O)C1=C(C)N=c2n(C1c1cccc3c1cccc3)c(=O)c(=Cc1cc(Cl)c(c(c1)OC)O)s2
CCOC(=O)C1=C(N=C2N(C1C3=CC=CC4=CC=CC=C43)C(=O)C(=CC5=CC(=C(C(=C5)Cl)O)OC)S2)C
ethyl(2E)2((3chloro4hydroxy5methoxyphenyl)methylidene)7methyl5naphthalen1yl3oxo5H(13)thiazolo(32a)pyrimidine6carboxylate
ethyl(2E)2(3chloro4hydroxy5methoxybenzylidene)7methyl5(naphthalen1yl)3oxo23dihydro5H(13)thiazolo(32a)pyrimidine6carboxylate
InChI=1SC28H23ClN2O5Sc143627(34)2315(2)302831(24(23)191179178561018(17)19)26(33)22(3728)14161220(29)25(32)21(1316)353h5142432H4H213H3b2214+
MFCD08685739
ZINC000097965465
ZINC000097965466
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