Vitas-M small molecule compound
ethyl (9Z)-9-(4-bromobenzylidene)-5-(4-bromophenyl)-3-methyl-6,7,8,9-tetrahydro-5H-[1,3]thiazolo[2,3-b]quinazoline-2-carboxylate
Catalog ID
STL112576
SMILES CCOC(=O)c1sc2=NC3=C(C(n2c1C)c1ccc(cc1)Br)CCC/C/3=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 C27H24Br2N2O2S MW 600.37 g/mol Purity >90% as per NMR
InChI
InChI=1S/C27H24Br2N2O2S/c1-3-33-26(32)25-16(2)31-24(18-9-13-21(29)14-10-18)22-6-4-5-19(23(22)30-27(31)34-25)15-17-7-11-20(28)12-8-17/h7-15,24H,3-6H2,1-2H3/b19-15-InChIKey
CZTAFOUYISPCLP-CYVLTUHYSA-NSynonyms
CCOC(=O)C1=C(N2C(C3=C(C(=CC4=CC=C(C=C4)Br)CCC3)N=C2S1)C5=CC=C(C=C5)Br)C
CCOC(=O)c1sc2=NC3=C(C(n2c1C)c1ccc(cc1)Br)CCCC3=Cc1ccc(cc1)Br
ethyl(9Z)5(4bromophenyl)9((4bromophenyl)methylidene)3methyl5678tetrahydro(13)thiazolo(23b)quinazoline2carboxylate
ethyl(9Z)9(4bromobenzylidene)5(4bromophenyl)3methyl6789tetrahydro5H(13)thiazolo(23b)quinazoline2carboxylate
InChI=1SC27H24Br2N2O2Sc133326(32)2516(2)3124(1891321(29)141018)2264519(23(22)3027(31)3425)151771120(28)12817h71524H36H212H3b1915
MFCD07277563
ZINC000097970803
ZINC000097970804
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