Vitas-M small molecule compound
(8E)-8-(4-bromobenzylidene)-4-(4-bromophenyl)-2-(methylsulfanyl)-3,4,5,6,7,8-hexahydroquinazoline
Catalog ID
STL115131
SMILES CSC1=NC2=C(C(N1)c1ccc(cc1)Br)CCC/C/2=C\c1ccc(cc1)Br
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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 C22H20Br2N2S MW 504.29 g/mol Purity >90% as per NMR
InChI
InChI=1S/C22H20Br2N2S/c1-27-22-25-20(15-7-11-18(24)12-8-15)19-4-2-3-16(21(19)26-22)13-14-5-9-17(23)10-6-14/h5-13,20H,2-4H2,1H3,(H,25,26)/b16-13+InChIKey
GTFWDVYVSZMRMF-DTQAZKPQSA-NSynonyms
(8E)4(4bromophenyl)8((4bromophenyl)methylidene)2methylsulfanyl4567tetrahydro1Hquinazoline
(8E)8(4bromobenzylidene)4(4bromophenyl)2(methylsulfanyl)345678hexahydroquinazoline
CSC1=NC(C2=C(N1)C(=CC3=CC=C(C=C3)Br)CCC2)C4=CC=C(C=C4)Br
CSC1=NC2=C(C(N1)c1ccc(cc1)Br)CCCC2=Cc1ccc(cc1)Br
InChI=1SC22H20Br2N2Sc127222520(1571118(24)12815)1942316(21(19)2622)13145917(23)10614h51320H24H21H3(H2526)b1613+
MFCD00564650
ZINC000023230310
ZINC000023230313
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