Vitas-M small molecule compound

N-(2,5-dimethylphenyl)-4-(4-methoxyphenyl)-1-(4-methylphenyl)-5,6,7,8-tetrahydro-2,2a,8a-triazacyclopenta[cd]azulene-3-carbothioamide

Catalog ID
STK645265
SMILES COc1ccc(cc1)c1c(C(=S)Nc2cc(C)ccc2C)n2c3c1CCCCn3c(n2)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 C32H32N4OS MW 520.70 g/mol Purity >90% as per NMR
InChI
InChI=1S/C32H32N4OS/c1-20-9-12-24(13-10-20)30-34-36-29(31(38)33-27-19-21(2)8-11-22(27)3)28(23-14-16-25(37-4)17-15-23)26-7-5-6-18-35(30)32(26)36/h8-17,19H,5-7,18H2,1-4H3,(H,33,38)
InChIKey
PRYRIUCQQCUYHR-UHFFFAOYSA-N
Synonyms
540774-23-0
540774230
CC1=CC=C(C=C1)C2=NN3C(=C(C4=C3N2CCCC4)C5=CC=C(C=C5)OC)C(=S)NC6=C(C=CC(=C6)C)C
InChI=1SC32H32N4OSc12091224(131020)30343629(31(38)33271921(2)81122(27)3)28(23141625(374)171523)267561835(30)32(26)36h81719H5718H214H3(H3338)
MFCD03460684
N(25dimethylphenyl)1(4methoxyphenyl)4(ptolyl)5678tetrahydro2a34atriazacyclopenta(cd)azulene2carbothioamide
N(25dimethylphenyl)4(4methoxyphenyl)1(4methylphenyl)5678tetrahydro22a8atriazacyclopenta(cd)azulene3carbothioamide
ZINC000009462252
ZINC09462252
ZINC9462252

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Available files

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