Vitas-M small molecule compound

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

Catalog ID
STK592386
SMILES COc1ccccc1NC(=O)c1c(c2ccccc2)c2c3n1cc(n3CCCC2)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 C30H27N3O2 MW 461.56 g/mol Purity >90% as per NMR
InChI
InChI=1S/C30H27N3O2/c1-35-26-18-9-8-17-24(26)31-29(34)28-27(22-14-6-3-7-15-22)23-16-10-11-19-32-25(20-33(28)30(23)32)21-12-4-2-5-13-21/h2-9,12-15,17-18,20H,10-11,16,19H2,1H3,(H,31,34)
InChIKey
NPERACNXCCALOP-UHFFFAOYSA-N
Synonyms
896167-34-3
896167343
COC1=CC=CC=C1NC(=O)C2=C(C3=C4N2C=C(N4CCCC3)C5=CC=CC=C5)C6=CC=CC=C6
InChI=1SC30H27N3O2c1352618981724(26)3129(34)2827(22146371522)23161011193225(2033(28)30(23)32)21124251321h291215171820H10111619H21H3(H3134)
MFCD06594155
N(2methoxyphenyl)14diphenyl5678tetrahydro2a4adiazacyclopenta(cd)azulene2carboxamide
ZINC000009242859
ZINC09242859
ZINC9242859

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Available files

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