Vitas-M small molecule compound
ethyl (2Z)-2-[4-(benzyloxy)-3-bromo-5-ethoxybenzylidene]-5-(4-methoxyphenyl)-7-methyl-3-oxo-2,3-dihydro-5H-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxylate
Catalog ID
STK109744
SMILES CCOC(=O)C1=C(C)N=c2n(C1c1ccc(cc1)OC)c(=O)/c(=C/c1cc(Br)c(c(c1)OCC)OCc1ccccc1)/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 C33H31BrN2O6S MW 663.59 g/mol Purity >90% as per NMR
InChI
InChI=1S/C33H31BrN2O6S/c1-5-40-26-17-22(16-25(34)30(26)42-19-21-10-8-7-9-11-21)18-27-31(37)36-29(23-12-14-24(39-4)15-13-23)28(32(38)41-6-2)20(3)35-33(36)43-27/h7-18,29H,5-6,19H2,1-4H3/b27-18-InChIKey
NTWUQBMCWZQGBI-IMRQLAEWSA-NSynonyms
(Z)ethyl2(4(benzyloxy)3bromo5ethoxybenzylidene)5(4methoxyphenyl)7methyl3oxo35dihydro2Hthiazolo(32a)pyrimidine6carboxylate
CCOC(=O)C1=C(C)N=c2n(C1c1ccc(cc1)OC)c(=O)c(=Cc1cc(Br)c(c(c1)OCC)OCc1ccccc1)s2
CCOC1=C(C(=CC(=C1)C=C2C(=O)N3C(C(=C(N=C3S2)C)C(=O)OCC)C4=CC=C(C=C4)OC)Br)OCC5=CC=CC=C5
ETHYL(2Z)2((3BROMO5ETHOXY4PHENYLMETHOXYPHENYL)METHYLIDENE)5(4METHOXYPHENYL)7METHYL3OXO5H(13)THIAZOLO(32A)PYRIMIDINE6CARBOXYLATE
ETHYL(2Z)2(4(BENZYLOXY)3BROMO5ETHOXYBENZYLIDENE)5(4METHOXYPHENYL)7METHYL3OXO23DIHYDRO5H(13)THIAZOLO(32A)PYRIMIDINE6CARBOXYLATE
InChI=1SC33H31BrN2O6Sc1540261722(1625(34)30(26)421921108791121)182731(37)3629(23121424(394)151323)28(32(38)4162)20(3)3533(36)4327h71829H5619H214H3b2718
MFCD01470811
ZINC000150406631
ZINC000150406634
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