Vitas-M small molecule compound
[5-(hydroxymethyl)-1H-indol-3-yl]{4-[5-(trifluoromethyl)pyridin-2-yl]-1,4-diazepan-1-yl}acetic acid
Catalog ID
STK660763
SMILES OCc1ccc2c(c1)c(c[nH]2)C(N1CCCN(CC1)c1ccc(cn1)C(F)(F)F)C(=O)O
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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 C22H23F3N4O3 MW 448.44 g/mol Purity >90% as per NMR
InChI
InChI=1S/C22H23F3N4O3/c23-22(24,25)15-3-5-19(27-11-15)28-6-1-7-29(9-8-28)20(21(31)32)17-12-26-18-4-2-14(13-30)10-16(17)18/h2-5,10-12,20,26,30H,1,6-9,13H2,(H,31,32)InChIKey
RIKWNUSNXAIPAX-UHFFFAOYSA-NSynonyms
1144466-19-2(5(hydroxymethyl)1Hindol3yl)(4(5(trifluoromethyl)pyridin2yl)14diazepan1yl)aceticacid
1144466192
2(5(hydroxymethyl)1Hindol3yl)2(4(5(trifluoromethyl)pyridin2yl)14diazepan1yl)aceticacid
C1CN(CCN(C1)C(C2=CNC3=C2C=C(C=C3)CO)C(=O)O)C4=NC=C(C=C4)C(F)(F)F
InChI=1SC22H23F3N4O3c2322(2425)153519(271115)2861729(9828)20(21(31)32)171226184214(1330)1016(17)18h251012202630H16913H2(H3132)
MFCD12216915
OCc1ccc2c(c1)c(c(nH)2)C(N1CCCN(CC1)c1ccc(cn1)C(F)(F)F)C(=O)O
ZINC000032102269
ZINC000032102271
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