Vitas-M small molecule compound
2-{[(8E)-8-(4-bromobenzylidene)-4-(4-bromophenyl)-3,4,5,6,7,8-hexahydroquinazolin-2-yl]sulfanyl}-N-phenyl-N-(propan-2-yl)acetamide
Catalog ID
STL115145
SMILES Brc1ccc(cc1)C1NC(=NC2=C1CCC/C/2=C\c1ccc(cc1)Br)SCC(=O)N(c1ccccc1)C(C)C
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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 C32H31Br2N3OS MW 665.49 g/mol Purity >90% as per NMR
InChI
InChI=1S/C32H31Br2N3OS/c1-21(2)37(27-8-4-3-5-9-27)29(38)20-39-32-35-30(23-13-17-26(34)18-14-23)28-10-6-7-24(31(28)36-32)19-22-11-15-25(33)16-12-22/h3-5,8-9,11-19,21,30H,6-7,10,20H2,1-2H3,(H,35,36)/b24-19+InChIKey
ZLVXPLHQIYHFLB-LYBHJNIJSA-NSynonyms
2(((8E)4(4bromophenyl)8((4bromophenyl)methylidene)4567tetrahydro1Hquinazolin2yl)sulfanyl)NphenylNpropan2ylacetamide
2(((8E)8(4bromobenzylidene)4(4bromophenyl)345678hexahydroquinazolin2yl)sulfanyl)NphenylN(propan2yl)acetamide
Brc1ccc(cc1)C1NC(=NC2=C1CCCC2=Cc1ccc(cc1)Br)SCC(=O)N(c1ccccc1)C(C)C
CC(C)N(C1=CC=CC=C1)C(=O)CSC2=NC(C3=C(N2)C(=CC4=CC=C(C=C4)Br)CCC3)C5=CC=C(C=C5)Br
InChI=1SC32H31Br2N3OSc121(2)37(278435927)29(38)2039323530(23131726(34)181423)28106724(31(28)3632)1922111525(33)161222h358911192130H671020H212H3(H3536)b2419+
MFCD03177101
ZINC000097970824
ZINC000097970825
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