Vitas-M small molecule compound
ethyl (2E)-2-[(5-bromo-1H-indol-3-yl)methylidene]-7-methyl-3-oxo-5-phenyl-2,3-dihydro-5H-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxylate
Catalog ID
STL407035
SMILES CCOC(=O)C1=C(C)N=c2n(C1c1ccccc1)c(=O)/c(=C\c1c[nH]c3c1cc(Br)cc3)/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 C25H20BrN3O3S MW 522.42 g/mol Purity >90% as per NMR
InChI
InChI=1S/C25H20BrN3O3S/c1-3-32-24(31)21-14(2)28-25-29(22(21)15-7-5-4-6-8-15)23(30)20(33-25)11-16-13-27-19-10-9-17(26)12-18(16)19/h4-13,22,27H,3H2,1-2H3/b20-11+InChIKey
PFGVSJBTYMKUEP-RGVLZGJSSA-NSynonyms
CCOC(=O)C1=C(C)N=c2n(C1c1ccccc1)c(=O)c(=Cc1c(nH)c3c1cc(Br)cc3)s2
CCOC(=O)C1=C(N=C2N(C1C3=CC=CC=C3)C(=O)C(=CC4=CNC5=C4C=C(C=C5)Br)S2)C
ethyl(2E)2((5bromo1Hindol3yl)methylidene)7methyl3oxo5phenyl23dihydro5H(13)thiazolo(32a)pyrimidine6carboxylate
ethyl(2E)2((5bromo1Hindol3yl)methylidene)7methyl3oxo5phenyl5H(13)thiazolo(32a)pyrimidine6carboxylate
InChI=1SC25H20BrN3O3Sc133224(31)2114(2)282529(22(21)157546815)23(30)20(3325)111613271910917(26)1218(16)19h4132227H3H212H3b2011+
MFCD04083869
ZINC000100303709
ZINC000100303715
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