Vitas-M small molecule compound

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

Catalog ID
STL005796
SMILES CCCC(=O)c1c(c2ccc(cc2)OC)c2c3n1cc(n3CCCC2)c1ccc(cc1)C

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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 C28H30N2O2 MW 426.56 g/mol Purity >90% as per NMR
InChI
InChI=1S/C28H30N2O2/c1-4-7-25(31)27-26(21-13-15-22(32-3)16-14-21)23-8-5-6-17-29-24(18-30(27)28(23)29)20-11-9-19(2)10-12-20/h9-16,18H,4-8,17H2,1-3H3
InChIKey
VWVCAAJZVMCXCJ-UHFFFAOYSA-N
Synonyms
497244-31-2
1(1(4methoxyphenyl)4(4methylphenyl)5678tetrahydro2a4adiazacyclopenta(cd)azulen2yl)butan1one
1(1(4methoxyphenyl)4(ptolyl)5678tetrahydro2a4adiazacyclopenta(cd)azulen2yl)butan1one
497244312
CCCC(=O)C1=C(C2=C3N1C=C(N3CCCC2)C4=CC=C(C=C4)C)C5=CC=C(C=C5)OC
InChI=1SC28H30N2O2c14725(31)2726(21131522(323)161421)23856172924(1830(27)28(23)29)2011919(2)101220h91618H4817H213H3
MFCD03300328
ZINC000002380807
ZINC02380807
ZINC2380807

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Available files

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