Vitas-M small molecule compound

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

Catalog ID
STK657158
SMILES COc1ccc(cc1)NC(=S)c1n2nc(n3c2c(c1c1ccccc1)CCCC3)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 C29H26N4OS MW 478.62 g/mol Purity >90% as per NMR
InChI
InChI=1S/C29H26N4OS/c1-34-23-17-15-22(16-18-23)30-28(35)26-25(20-10-4-2-5-11-20)24-14-8-9-19-32-27(31-33(26)29(24)32)21-12-6-3-7-13-21/h2-7,10-13,15-18H,8-9,14,19H2,1H3,(H,30,35)
InChIKey
DWAASOVDKWAWGJ-UHFFFAOYSA-N
Synonyms
540773-41-9
540773419
COC1=CC=C(C=C1)NC(=S)C2=C(C3=C4N2N=C(N4CCCC3)C5=CC=CC=C5)C6=CC=CC=C6
InChI=1SC29H26N4OSc13423171522(161823)3028(35)2625(20104251120)241489193227(3133(26)29(24)32)21126371321h2710131518H891419H21H3(H3035)
MFCD03460415
N(4methoxyphenyl)14diphenyl5678tetrahydro22a8atriazacyclopenta(cd)azulene3carbothioamide
N(4methoxyphenyl)14diphenyl5678tetrahydro2a34atriazacyclopenta(cd)azulene2carbothioamide
ZINC000002246283
ZINC02246283
ZINC2246283

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Available files

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