Vitas-M small molecule compound
1-[1-(4-chlorophenyl)-4-(4-methylphenyl)-5,6,7,8-tetrahydro-2a,4a-diazacyclopenta[cd]azulen-2-yl]butan-1-one
Catalog ID
STK997207
SMILES CCCC(=O)c1c(c2ccc(cc2)Cl)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 C27H27ClN2O MW 430.98 g/mol Purity >90% as per NMR
InChI
InChI=1S/C27H27ClN2O/c1-3-6-24(31)26-25(20-12-14-21(28)15-13-20)22-7-4-5-16-29-23(17-30(26)27(22)29)19-10-8-18(2)9-11-19/h8-15,17H,3-7,16H2,1-2H3InChIKey
BKMQODPRBHDAAZ-UHFFFAOYSA-NSynonyms
488707-44-41(1(4chlorophenyl)4(4methylphenyl)5678tetrahydro2a4adiazacyclopenta(cd)azulen2yl)butan1one
1(1(4chlorophenyl)4(ptolyl)5678tetrahydro2a4adiazacyclopenta(cd)azulen2yl)butan1one
488707444
CCCC(=O)C1=C(C2=C3N1C=C(N3CCCC2)C4=CC=C(C=C4)C)C5=CC=C(C=C5)Cl
InChI=1SC27H27ClN2Oc13624(31)2625(20121421(28)151320)22745162923(1730(26)27(22)29)1910818(2)91119h81517H3716H212H3
MFCD03290618
ZINC000002428956
ZINC02428956
ZINC2428956
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