Vitas-M small molecule compound
1-[1-(4-methoxyphenyl)-4-phenyl-5,6,7,8-tetrahydro-2a,4a-diazacyclopenta[cd]azulen-2-yl]propan-1-one
Catalog ID
STK999724
SMILES CCC(=O)c1c(c2ccc(cc2)OC)c2c3n1cc(n3CCCC2)c1ccccc1
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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 C26H26N2O2 MW 398.50 g/mol Purity >90% as per NMR
InChI
InChI=1S/C26H26N2O2/c1-3-23(29)25-24(19-12-14-20(30-2)15-13-19)21-11-7-8-16-27-22(17-28(25)26(21)27)18-9-5-4-6-10-18/h4-6,9-10,12-15,17H,3,7-8,11,16H2,1-2H3InChIKey
PVUYZSBKXSROJF-UHFFFAOYSA-NSynonyms
844463-98-51(1(4methoxyphenyl)4phenyl5678tetrahydro2a4adiazacyclopenta(cd)azulen2yl)propan1one
844463985
CCC(=O)C1=C(C2=C3N1C=C(N3CCCC2)C4=CC=CC=C4)C5=CC=C(C=C5)OC
InChI=1SC26H26N2O2c1323(29)2524(19121420(302)151319)211178162722(1728(25)26(21)27)1895461018h46910121517H3781116H212H3
ZINC02402682
ZINC2402682
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