Vitas-M small molecule compound
3-(4-bromophenyl)-N-(2,4-dimethylphenyl)-2-methyl-4-thioxo-3,4,5,6-tetrahydro-2H-2,6-methano-1,3,5-benzoxadiazocine-11-carboxamide
Catalog ID
STL192519
SMILES Brc1ccc(cc1)N1C(=S)NC2C(C1(C)Oc1c2cccc1)C(=O)Nc1ccc(cc1C)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 C26H24BrN3O2S MW 522.47 g/mol Purity >90% as per NMR
InChI
InChI=1S/C26H24BrN3O2S/c1-15-8-13-20(16(2)14-15)28-24(31)22-23-19-6-4-5-7-21(19)32-26(22,3)30(25(33)29-23)18-11-9-17(27)10-12-18/h4-14,22-23H,1-3H3,(H,28,31)(H,29,33)InChIKey
CUSPCLVJWZLMDS-UHFFFAOYSA-NSynonyms
1024354-21-91024354219
3(4bromophenyl)N(24dimethylphenyl)2methyl4thioxo3456tetrahydro2H26methano135benzoxadiazocine11carboxamide
CC1=CC(=C(C=C1)NC(=O)C2C3C4=CC=CC=C4OC2(N(C(=S)N3)C5=CC=C(C=C5)Br)C)C
InChI=1SC26H24BrN3O2Sc11581320(16(2)1415)2824(31)222319645721(19)3226(223)30(25(33)2923)1811917(27)101218h4142223H13H3(H2831)(H2933)
MFCD15086004
ZINC000100030824
ZINC000100030826
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