Vitas-M small molecule compound

1-[4-(3,4-dichlorophenyl)-1-(4-methoxyphenyl)-5,6,7,8-tetrahydro-2a,4a-diazacyclopenta[cd]azulen-2-yl]butan-1-one

Catalog ID
STK999849
SMILES CCCC(=O)c1c(c2ccc(cc2)OC)c2c3n1cc(n3CCCC2)c1ccc(c(c1)Cl)Cl

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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 C27H26Cl2N2O2 MW 481.42 g/mol Purity >90% as per NMR
InChI
InChI=1S/C27H26Cl2N2O2/c1-3-6-24(32)26-25(17-8-11-19(33-2)12-9-17)20-7-4-5-14-30-23(16-31(26)27(20)30)18-10-13-21(28)22(29)15-18/h8-13,15-16H,3-7,14H2,1-2H3
InChIKey
VGZFIEIRGPOYNY-UHFFFAOYSA-N
Synonyms
847160-49-0
1(4(34dichlorophenyl)1(4methoxyphenyl)5678tetrahydro2a4adiazacyclopenta(cd)azulen2yl)butan1one
847160490
CCCC(=O)C1=C(C2=C3N1C=C(N3CCCC2)C4=CC(=C(C=C4)Cl)Cl)C5=CC=C(C=C5)OC
InChI=1SC27H26Cl2N2O2c13624(32)2625(1781119(332)12917)20745143023(1631(26)27(20)30)18101321(28)22(29)1518h8131516H3714H212H3
MFCD04182822
ZINC000002367450
ZINC02367450
ZINC2367450

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Available files

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