Vitas-M small molecule compound

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

Catalog ID
STK573775
SMILES CCOc1ccc(cc1)c1c(C(=O)Nc2ccc(cc2)Cl)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 C31H28ClN3O2 MW 510.04 g/mol Purity >90% as per NMR
InChI
InChI=1S/C31H28ClN3O2/c1-2-37-25-17-11-22(12-18-25)28-26-10-6-7-19-34-27(21-8-4-3-5-9-21)20-35(31(26)34)29(28)30(36)33-24-15-13-23(32)14-16-24/h3-5,8-9,11-18,20H,2,6-7,10,19H2,1H3,(H,33,36)
InChIKey
LCAXWRFJBZCFGK-UHFFFAOYSA-N
Synonyms
896167-41-2
896167412
CCOC1=CC=C(C=C1)C2=C(N3C=C(N4C3=C2CCCC4)C5=CC=CC=C5)C(=O)NC6=CC=C(C=C6)Cl
InChI=1SC31H28ClN3O2c123725171122(121825)28261067193427(218435921)2035(31(26)34)29(28)30(36)3324151323(32)141624h3589111820H2671019H21H3(H3336)
MFCD06604437
N(4chlorophenyl)1(4ethoxyphenyl)4phenyl5678tetrahydro2a4adiazacyclopenta(cd)azulene2carboxamide
ZINC000002432145
ZINC02432145
ZINC2432145

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Available files

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