Vitas-M small molecule compound
2-[9-benzyl-4-(4-fluorophenyl)-1,5,9-triazaspiro[5.5]undec-4-en-2-yl]phenol
Catalog ID
STL200379
SMILES Fc1ccc(cc1)C1=NC2(NC(C1)c1ccccc1O)CCN(CC2)Cc1ccccc1
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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 C27H28FN3O MW 429.54 g/mol Purity >90% as per NMR
InChI
InChI=1S/C27H28FN3O/c28-22-12-10-21(11-13-22)24-18-25(23-8-4-5-9-26(23)32)30-27(29-24)14-16-31(17-15-27)19-20-6-2-1-3-7-20/h1-13,25,30,32H,14-19H2InChIKey
AORGQCQAKHXIQC-UHFFFAOYSA-NSynonyms
2(9benzyl4(4fluorophenyl)159triazaspiro(55)undec4en2yl)phenol
C1CN(CCC12NC(CC(=N2)C3=CC=C(C=C3)F)C4=CC=CC=C4O)CC5=CC=CC=C5
InChI=1SC27H28FN3Oc2822121021(111322)241825(23845926(23)32)3027(2924)141631(171527)19206213720h113253032H1419H2
MFCD24858169
ZINC000080324920
ZINC000080324926
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