Vitas-M small molecule compound
4-(4-chlorophenyl)-1-(4-methoxyphenyl)-N-phenyl-5,6,7,8-tetrahydro-2,2a,8a-triazacyclopenta[cd]azulene-3-carbothioamide
Catalog ID
STL006293
SMILES COc1ccc(cc1)c1nn2c3n1CCCCc3c(c2C(=S)Nc1ccccc1)c1ccc(cc1)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 C29H25ClN4OS MW 513.06 g/mol Purity >90% as per NMR
InChI
InChI=1S/C29H25ClN4OS/c1-35-23-16-12-20(13-17-23)27-32-34-26(28(36)31-22-7-3-2-4-8-22)25(19-10-14-21(30)15-11-19)24-9-5-6-18-33(27)29(24)34/h2-4,7-8,10-17H,5-6,9,18H2,1H3,(H,31,36)InChIKey
NPMKZZGQEOYVHC-UHFFFAOYSA-NSynonyms
540773-44-21(4chlorophenyl)4(4methoxyphenyl)Nphenyl5678tetrahydro2a34atriazacyclopenta(cd)azulene2carbothioamide
4(4chlorophenyl)1(4methoxyphenyl)Nphenyl5678tetrahydro22a8atriazacyclopenta(cd)azulene3carbothioamide
540773442
COC1=CC=C(C=C1)C2=NN3C(=C(C4=C3N2CCCC4)C5=CC=C(C=C5)Cl)C(=S)NC6=CC=CC=C6
InChI=1SC29H25ClN4OSc13523161220(131723)27323426(28(36)31227324822)25(19101421(30)151119)249561833(27)29(24)34h24781017H56918H21H3(H3136)
MFCD03460418
ZINC000002255970
ZINC02255970
ZINC2255970
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