Vitas-M small molecule compound
1-(2,4-dichlorophenyl)-4-(4-ethoxyphenyl)-N-phenyl-5,6,7,8-tetrahydro-2,2a,8a-triazacyclopenta[cd]azulene-3-carbothioamide
Catalog ID
STK569607
SMILES CCOc1ccc(cc1)c1c(C(=S)Nc2ccccc2)n2c3c1CCCCn3c(n2)c1ccc(cc1Cl)Cl
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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 C30H26Cl2N4OS MW 561.53 g/mol Purity >90% as per NMR
InChI
InChI=1S/C30H26Cl2N4OS/c1-2-37-22-14-11-19(12-15-22)26-24-10-6-7-17-35-28(23-16-13-20(31)18-25(23)32)34-36(30(24)35)27(26)29(38)33-21-8-4-3-5-9-21/h3-5,8-9,11-16,18H,2,6-7,10,17H2,1H3,(H,33,38)InChIKey
FDOIIVIACQKELP-UHFFFAOYSA-NSynonyms
1(24dichlorophenyl)4(4ethoxyphenyl)Nphenyl5678tetrahydro22a8atriazacyclopenta(cd)azulene3carbothioamide
4(24dichlorophenyl)1(4ethoxyphenyl)Nphenyl5678tetrahydro2a34atriazacyclopenta(cd)azulene2carbothioamide
CCOC1=CC=C(C=C1)C2=C(N3C4=C2CCCCN4C(=N3)C5=C(C=C(C=C5)Cl)Cl)C(=S)NC6=CC=CC=C6
InChI=1SC30H26Cl2N4OSc123722141119(121522)26241067173528(23161320(31)1825(23)32)3436(30(24)35)27(26)29(38)33218435921h3589111618H2671017H21H3(H3338)
MFCD03460345
ZINC000001885853
ZINC01885853
ZINC1885853
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