Vitas-M small molecule compound
3-(3-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
STL192523
SMILES Cc1ccc(c(c1)C)NC(=O)C1C2NC(=S)N(C1(C)Oc1c2cccc1)c1cccc(c1)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 C26H24BrN3O2S MW 522.47 g/mol Purity >90% as per NMR
InChI
InChI=1S/C26H24BrN3O2S/c1-15-11-12-20(16(2)13-15)28-24(31)22-23-19-9-4-5-10-21(19)32-26(22,3)30(25(33)29-23)18-8-6-7-17(27)14-18/h4-14,22-23H,1-3H3,(H,28,31)(H,29,33)InChIKey
GGARXTXRKWABGW-UHFFFAOYSA-NSynonyms
1024354-33-31024354333
3(3bromophenyl)N(24dimethylphenyl)2methyl4thioxo3456tetrahydro2H26methano135benzoxadiazocine11carboxamide
CC1=CC(=C(C=C1)NC(=O)C2C3C4=CC=CC=C4OC2(N(C(=S)N3)C5=CC(=CC=C5)Br)C)C
InChI=1SC26H24BrN3O2Sc115111220(16(2)1315)2824(31)2223199451021(19)3226(223)30(25(33)2923)1886717(27)1418h4142223H13H3(H2831)(H2933)
MFCD15086012
ZINC000100030946
ZINC000100030951
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