Vitas-M small molecule compound

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

Catalog ID
STL001532
SMILES COc1ccc(cc1)c1cn2c3n1CCCCc3c(c2)c1ccc(cc1)Br

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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 C23H21BrN2O MW 421.34 g/mol Purity >90% as per NMR
InChI
InChI=1S/C23H21BrN2O/c1-27-19-11-7-17(8-12-19)22-15-25-14-21(16-5-9-18(24)10-6-16)20-4-2-3-13-26(22)23(20)25/h5-12,14-15H,2-4,13H2,1H3
InChIKey
PNWHRALBPMDNIB-UHFFFAOYSA-N
Synonyms
181226-73-3
1(4bromophenyl)4(4methoxyphenyl)5678tetrahydro2a4adiazacyclopenta(cd)azulene
181226733
COC1=CC=C(C=C1)C2=CN3C=C(C4=C3N2CCCC4)C5=CC=C(C=C5)Br
InChI=1SC23H21BrN2Oc1271911717(81219)2215251421(165918(24)10616)204231326(22)23(20)25h5121415H2413H21H3
MFCD00790647
ZINC000002327169
ZINC02327169
ZINC2327169

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Available files

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