Vitas-M small molecule compound

N-benzyl-1-(4-methoxyphenyl)-4-(4-methylphenyl)-5,6,7,8-tetrahydro-2a,4a-diazacyclopenta[cd]azulene-2-carbothioamide

Catalog ID
STK780974
SMILES COc1ccc(cc1)c1c(C(=S)NCc2ccccc2)n2c3c1CCCCn3c(c2)c1ccc(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 C32H31N3OS MW 505.68 g/mol Purity >90% as per NMR
InChI
InChI=1S/C32H31N3OS/c1-22-11-13-24(14-12-22)28-21-35-30(31(37)33-20-23-8-4-3-5-9-23)29(25-15-17-26(36-2)18-16-25)27-10-6-7-19-34(28)32(27)35/h3-5,8-9,11-18,21H,6-7,10,19-20H2,1-2H3,(H,33,37)
InChIKey
PPVDNVKTZYQVGJ-UHFFFAOYSA-N
Synonyms

CC1=CC=C(C=C1)C2=CN3C(=C(C4=C3N2CCCC4)C5=CC=C(C=C5)OC)C(=S)NCC6=CC=CC=C6
InChI=1SC32H31N3OSc122111324(141222)28213530(31(37)3320238435923)29(25151726(362)181625)2710671934(28)32(27)35h3589111821H67101920H212H3(H3337)
MFCD03290356
Nbenzyl1(4methoxyphenyl)4(4methylphenyl)5678tetrahydro2a4adiazacyclopenta(cd)azulene2carbothioamide
ZINC000012461971
ZINC12461971

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Available files

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