Vitas-M small molecule compound
1-{[(4-chlorophenyl)amino]methyl}-N-(4-ethylphenyl)-4-phenyl-5,6,7,8-tetrahydro-2,2a,8a-triazacyclopenta[cd]azulene-3-carbothioamide
Catalog ID
STK679042
SMILES CCc1ccc(cc1)NC(=S)c1c(c2ccccc2)c2c3n1nc(n3CCCC2)CNc1ccc(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 C31H30ClN5S MW 540.13 g/mol Purity >90% as per NMR
InChI
InChI=1S/C31H30ClN5S/c1-2-21-11-15-25(16-12-21)34-30(38)29-28(22-8-4-3-5-9-22)26-10-6-7-19-36-27(35-37(29)31(26)36)20-33-24-17-13-23(32)14-18-24/h3-5,8-9,11-18,33H,2,6-7,10,19-20H2,1H3,(H,34,38)InChIKey
MKOGOPOLKMWAOY-UHFFFAOYSA-NSynonyms
1(((4chlorophenyl)amino)methyl)N(4ethylphenyl)4phenyl5678tetrahydro22a8atriazacyclopenta(cd)azulene3carbothioamide
CCC1=CC=C(C=C1)NC(=S)C2=C(C3=C4N2N=C(N4CCCC3)CNC5=CC=C(C=C5)Cl)C6=CC=CC=C6
InChI=1SC31H30ClN5Sc1221111525(161221)3430(38)2928(228435922)261067193627(3537(29)31(26)36)203324171323(32)141824h3589111833H267101920H21H3(H3438)
MFCD03408238
ZINC000002192657
ZINC2192657
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