Vitas-M small molecule compound
4-(4-bromophenyl)-N-(2,5-dimethylphenyl)-1-{[(4-methoxyphenyl)amino]methyl}-5,6,7,8-tetrahydro-2,2a,8a-triazacyclopenta[cd]azulene-3-carbothioamide
Catalog ID
STK534176
SMILES COc1ccc(cc1)NCc1nn2c3n1CCCCc3c(c2C(=S)Nc1cc(C)ccc1C)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 C32H32BrN5OS MW 614.61 g/mol Purity >90% as per NMR
InChI
InChI=1S/C32H32BrN5OS/c1-20-7-8-21(2)27(18-20)35-31(40)30-29(22-9-11-23(33)12-10-22)26-6-4-5-17-37-28(36-38(30)32(26)37)19-34-24-13-15-25(39-3)16-14-24/h7-16,18,34H,4-6,17,19H2,1-3H3,(H,35,40)InChIKey
YSNPVCRHBROPAD-UHFFFAOYSA-NSynonyms
1(4bromophenyl)N(25dimethylphenyl)4(((4methoxyphenyl)amino)methyl)5678tetrahydro2a34atriazacyclopenta(cd)azulene2carbothioamide
4(4bromophenyl)N(25dimethylphenyl)1(((4methoxyphenyl)amino)methyl)5678tetrahydro22a8atriazacyclopenta(cd)azulene3carbothioamide
CC1=CC(=C(C=C1)C)NC(=S)C2=C(C3=C4N2N=C(N4CCCC3)CNC5=CC=C(C=C5)OC)C6=CC=C(C=C6)Br
InChI=1SC32H32BrN5OSc1207821(2)27(1820)3531(40)3029(2291123(33)121022)26645173728(3638(30)32(26)37)193424131525(393)161424h7161834H461719H213H3(H3540)
MFCD02992611
ZINC000097999397
ZINC97999397
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