Vitas-M small molecule compound
1-(phenoxymethyl)-N,4-diphenyl-5,6,7,8-tetrahydro-2,2a,8a-triazacyclopenta[cd]azulene-3-carbothioamide
Catalog ID
STK768915
SMILES S=C(c1n2nc(n3c2c(c1c1ccccc1)CCCC3)COc1ccccc1)Nc1ccccc1
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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 C29H26N4OS MW 478.62 g/mol Purity >90% as per NMR
InChI
InChI=1S/C29H26N4OS/c35-28(30-22-14-6-2-7-15-22)27-26(21-12-4-1-5-13-21)24-18-10-11-19-32-25(31-33(27)29(24)32)20-34-23-16-8-3-9-17-23/h1-9,12-17H,10-11,18-20H2,(H,30,35)InChIKey
SHPKQHZRYCCSBX-UHFFFAOYSA-NSynonyms
1(phenoxymethyl)N4diphenyl5678tetrahydro22a8atriazacyclopenta(cd)azulene3carbothioamide
C1CCN2C(=NN3C2=C(C1)C(=C3C(=S)NC4=CC=CC=C4)C5=CC=CC=C5)COC6=CC=CC=C6
InChI=1SC29H26N4OSc3528(3022146271522)2726(21124151321)24181011193225(3133(27)29(24)32)203423168391723h191217H10111820H2(H3035)
MFCD03408118
ZINC000002192673
ZINC02192673
ZINC2192673
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