Vitas-M small molecule compound

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

Catalog ID
STK541450
SMILES Clc1ccc(cc1)c1cn2c3n1CCCCc3c(c2C(=S)Nc1ccccc1)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 C29H24ClN3S MW 482.05 g/mol Purity >90% as per NMR
InChI
InChI=1S/C29H24ClN3S/c30-22-16-14-20(15-17-22)25-19-33-27(28(34)31-23-11-5-2-6-12-23)26(21-9-3-1-4-10-21)24-13-7-8-18-32(25)29(24)33/h1-6,9-12,14-17,19H,7-8,13,18H2,(H,31,34)
InChIKey
HFTJYTUMTYFDRX-UHFFFAOYSA-N
Synonyms
489397-98-0
4(4chlorophenyl)N1diphenyl5678tetrahydro2a4adiazacyclopenta(cd)azulene2carbothioamide
489397980
C1CCN2C(=CN3C2=C(C1)C(=C3C(=S)NC4=CC=CC=C4)C5=CC=CC=C5)C6=CC=C(C=C6)Cl
InChI=1SC29H24ClN3Sc3022161420(151722)25193327(28(34)3123115261223)26(2193141021)2413781832(25)29(24)33h16912141719H781318H2(H3134)
MFCD03295600
ZINC000001898705
ZINC01898705
ZINC1898705

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Available files

Download the SDF, MOL, 3D structure and SDS documents from Vitas-M.