Vitas-M small molecule compound
3-(3-bromophenyl)-N-(2,4-dimethylphenyl)-2,8-dimethyl-4-thioxo-3,4,5,6-tetrahydro-2H-2,6-methano-1,3,5-benzoxadiazocine-11-carboxamide
Catalog ID
STL192527
SMILES Cc1ccc2c(c1)C1NC(=S)N(C(O2)(C1C(=O)Nc1ccc(cc1C)C)C)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 C27H26BrN3O2S MW 536.49 g/mol Purity >90% as per NMR
InChI
InChI=1S/C27H26BrN3O2S/c1-15-8-10-21(17(3)12-15)29-25(32)23-24-20-13-16(2)9-11-22(20)33-27(23,4)31(26(34)30-24)19-7-5-6-18(28)14-19/h5-14,23-24H,1-4H3,(H,29,32)(H,30,34)InChIKey
ZDNMCDKHXSKWMX-UHFFFAOYSA-NSynonyms
1024422-74-91024422749
3(3bromophenyl)N(24dimethylphenyl)28dimethyl4thioxo3456tetrahydro2H26methano135benzoxadiazocine11carboxamide
CC1=CC(=C(C=C1)NC(=O)C2C3C4=C(C=CC(=C4)C)OC2(N(C(=S)N3)C5=CC(=CC=C5)Br)C)C
InChI=1SC27H26BrN3O2Sc11581021(17(3)1215)2925(32)2324201316(2)91122(20)3327(234)31(26(34)3024)1975618(28)1419h5142324H14H3(H2932)(H3034)
MFCD15086070
ZINC000100031412
ZINC000100031416
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