Vitas-M small molecule compound
N-(2,3-dimethylphenyl)-1-(4-methoxyphenyl)-4-(4-methylphenyl)-5,6,7,8-tetrahydro-2a,4a-diazacyclopenta[cd]azulene-2-carbothioamide
Catalog ID
STK998751
SMILES COc1ccc(cc1)c1c2CCCCn3c2n(c1C(=S)Nc1cccc(c1C)C)cc3c1ccc(cc1)C
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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 C33H33N3OS MW 519.71 g/mol Purity >90% as per NMR
InChI
InChI=1S/C33H33N3OS/c1-21-11-13-24(14-12-21)29-20-36-31(32(38)34-28-10-7-8-22(2)23(28)3)30(25-15-17-26(37-4)18-16-25)27-9-5-6-19-35(29)33(27)36/h7-8,10-18,20H,5-6,9,19H2,1-4H3,(H,34,38)InChIKey
CYKCYWRDAMRIOJ-UHFFFAOYSA-NSynonyms
488717-52-8488717528
CC1=CC=C(C=C1)C2=CN3C(=C(C4=C3N2CCCC4)C5=CC=C(C=C5)OC)C(=S)NC6=CC=CC(=C6C)C
InChI=1SC33H33N3OSc121111324(141221)29203631(32(38)3428107822(2)23(28)3)30(25151726(374)181625)279561935(29)33(27)36h78101820H56919H214H3(H3438)
MFCD03291127
N(23dimethylphenyl)1(4methoxyphenyl)4(4methylphenyl)5678tetrahydro2a4adiazacyclopenta(cd)azulene2carbothioamide
N(23dimethylphenyl)1(4methoxyphenyl)4(ptolyl)5678tetrahydro2a4adiazacyclopenta(cd)azulene2carbothioamide
ZINC000002336991
ZINC02336991
ZINC2336991
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