Vitas-M small molecule compound

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

Catalog ID
STK998022
SMILES COc1ccc(cc1)c1c(C(=S)Nc2ccc(cc2)C)n2c3c1CCCCn3c(c2)c1ccccc1

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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 C31H29N3OS MW 491.66 g/mol Purity >90% as per NMR
InChI
InChI=1S/C31H29N3OS/c1-21-11-15-24(16-12-21)32-30(36)29-28(23-13-17-25(35-2)18-14-23)26-10-6-7-19-33-27(20-34(29)31(26)33)22-8-4-3-5-9-22/h3-5,8-9,11-18,20H,6-7,10,19H2,1-2H3,(H,32,36)
InChIKey
OWBHBFZTJMEVQK-UHFFFAOYSA-N
Synonyms
488131-62-0
1(4methoxyphenyl)4phenylN(ptolyl)5678tetrahydro2a4adiazacyclopenta(cd)azulene2carbothioamide
1(4methoxyphenyl)N(4methylphenyl)4phenyl5678tetrahydro2a4adiazacyclopenta(cd)azulene2carbothioamide
488131620
CC1=CC=C(C=C1)NC(=S)C2=C(C3=C4N2C=C(N4CCCC3)C5=CC=CC=C5)C6=CC=C(C=C6)OC
InChI=1SC31H29N3OSc121111524(161221)3230(36)2928(23131725(352)181423)261067193327(2034(29)31(26)33)228435922h3589111820H671019H212H3(H3236)
MFCD03289883
ZINC000002331606
ZINC02331606
ZINC2331606

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Available files

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