Vitas-M small molecule compound
1-[1-(4-chlorophenyl)-4-(4-methoxyphenyl)-5,6,7,8-tetrahydro-2a,4a-diazacyclopenta[cd]azulen-2-yl]propan-1-one
Catalog ID
STL000766
SMILES CCC(=O)c1c(c2ccc(cc2)Cl)c2c3n1cc(n3CCCC2)c1ccc(cc1)OC
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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 C26H25ClN2O2 MW 432.95 g/mol Purity >90% as per NMR
InChI
InChI=1S/C26H25ClN2O2/c1-3-23(30)25-24(18-7-11-19(27)12-8-18)21-6-4-5-15-28-22(16-29(25)26(21)28)17-9-13-20(31-2)14-10-17/h7-14,16H,3-6,15H2,1-2H3InChIKey
KMISENMAXABCTF-UHFFFAOYSA-NSynonyms
488747-97-31(1(4chlorophenyl)4(4methoxyphenyl)5678tetrahydro2a4adiazacyclopenta(cd)azulen2yl)propan1one
488747973
CCC(=O)C1=C(C2=C3N1C=C(N3CCCC2)C4=CC=C(C=C4)OC)C5=CC=C(C=C5)Cl
InChI=1SC26H25ClN2O2c1323(30)2524(1871119(27)12818)21645152822(1629(25)26(21)28)1791320(312)141017h71416H3615H212H3
MFCD03292524
ZINC000002420807
ZINC02420807
ZINC2420807
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Check stock on Vitas-MAvailable files
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