Vitas-M small molecule compound

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

Catalog ID
STK783838
SMILES COc1ccc(cc1)c1c(C(=S)Nc2ccc(cc2)C)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/c1-21-7-11-23(12-8-21)28-20-35-30(31(37)33-25-15-9-22(2)10-16-25)29(24-13-17-26(36-3)18-14-24)27-6-4-5-19-34(28)32(27)35/h7-18,20H,4-6,19H2,1-3H3,(H,33,37)
InChIKey
SQZURMHHBGSNRN-UHFFFAOYSA-N
Synonyms
488110-10-7
1(4methoxyphenyl)N4bis(4methylphenyl)5678tetrahydro2a4adiazacyclopenta(cd)azulene2carbothioamide
1(4methoxyphenyl)N4diptolyl5678tetrahydro2a4adiazacyclopenta(cd)azulene2carbothioamide
488110107
CC1=CC=C(C=C1)C2=CN3C(=C(C4=C3N2CCCC4)C5=CC=C(C=C5)OC)C(=S)NC6=CC=C(C=C6)C
InChI=1SC32H31N3OSc12171123(12821)28203530(31(37)332515922(2)101625)29(24131726(363)181424)276451934(28)32(27)35h71820H4619H213H3(H3337)
MFCD03289085
ZINC000002329399
ZINC02329399
ZINC2329399

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Available files

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