Vitas-M small molecule compound
ethyl (2Z)-2-(4-hydroxy-3-methoxybenzylidene)-7-methyl-5-(naphthalen-1-yl)-3-oxo-2,3-dihydro-5H-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxylate
Catalog ID
STK259016
SMILES CCOC(=O)C1=C(C)N=c2n(C1c1cccc3c1cccc3)c(=O)/c(=C/c1ccc(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 C28H24N2O5S MW 500.58 g/mol Purity >90% as per NMR
InChI
InChI=1S/C28H24N2O5S/c1-4-35-27(33)24-16(2)29-28-30(25(24)20-11-7-9-18-8-5-6-10-19(18)20)26(32)23(36-28)15-17-12-13-21(31)22(14-17)34-3/h5-15,25,31H,4H2,1-3H3/b23-15-InChIKey
VAXDGQHFMIPPMD-HAHDFKILSA-NSynonyms
CCOC(=O)C1=C(C)N=c2n(C1c1cccc3c1cccc3)c(=O)c(=Cc1ccc(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)O)OC)S2)C
ETHYL(2Z)2((4HYDROXY3METHOXYPHENYL)METHYLIDENE)7METHYL5NAPHTHALEN1YL3OXO5H(13)THIAZOLO(32A)PYRIMIDINE6CARBOXYLATE
ethyl(2Z)2(4hydroxy3methoxybenzylidene)7methyl5(naphthalen1yl)3oxo23dihydro5H(13)thiazolo(32a)pyrimidine6carboxylate
InChI=1SC28H24N2O5Sc143527(33)2416(2)292830(25(24)201179188561019(18)20)26(32)23(3628)1517121321(31)22(1417)343h5152531H4H213H3b2315
MFCD05039248
ZINC000003668782
ZINC000003668784
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