Vitas-M small molecule compound
1-(4-bromophenyl)-4-(4-methoxyphenyl)-N-phenyl-5,6,7,8-tetrahydro-2a,4a-diazacyclopenta[cd]azulene-2-carbothioamide
Catalog ID
STL057365
SMILES COc1ccc(cc1)c1cn2c3n1CCCCc3c(c2C(=S)Nc1ccccc1)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 C30H26BrN3OS MW 556.53 g/mol Purity >90% as per NMR
InChI
InChI=1S/C30H26BrN3OS/c1-35-24-16-12-20(13-17-24)26-19-34-28(29(36)32-23-7-3-2-4-8-23)27(21-10-14-22(31)15-11-21)25-9-5-6-18-33(26)30(25)34/h2-4,7-8,10-17,19H,5-6,9,18H2,1H3,(H,32,36)InChIKey
JDCXXJLNGTYCJS-UHFFFAOYSA-NSynonyms
1(4bromophenyl)4(4methoxyphenyl)Nphenyl5678tetrahydro2a4adiazacyclopenta(cd)azulene2carbothioamide
COC1=CC=C(C=C1)C2=CN3C(=C(C4=C3N2CCCC4)C5=CC=C(C=C5)Br)C(=S)NC6=CC=CC=C6
InChI=1SC30H26BrN3OSc13524161220(131724)26193428(29(36)32237324823)27(21101422(31)151121)259561833(26)30(25)34h2478101719H56918H21H3(H3236)
MFCD03296437
ZINC000001900528
ZINC01900528
ZINC1900528
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