Vitas-M small molecule compound
3-(3-{carboxy[4-(pyrimidin-2-yl)-1,4-diazepan-1-yl]methyl}-6-fluoro-1H-indol-1-yl)propanoic acid
Catalog ID
STK929302
SMILES OC(=O)CCn1cc(c2c1cc(F)cc2)C(N1CCCN(CC1)c1ncccn1)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 C22H24FN5O4 MW 441.46 g/mol Purity >90% as per NMR
InChI
InChI=1S/C22H24FN5O4/c23-15-3-4-16-17(14-28(18(16)13-15)10-5-19(29)30)20(21(31)32)26-8-2-9-27(12-11-26)22-24-6-1-7-25-22/h1,3-4,6-7,13-14,20H,2,5,8-12H2,(H,29,30)(H,31,32)InChIKey
BRSMVDUDBLLSLU-UHFFFAOYSA-NSynonyms
1214121-98-81214121988
3(3(carboxy(4(pyrimidin2yl)14diazepan1yl)methyl)6fluoro1Hindol1yl)propanoicacid
3(3(carboxy(4pyrimidin2yl14diazepan1yl)methyl)6fluoroindol1yl)propanoicacid
C1CN(CCN(C1)C(C2=CN(C3=C2C=CC(=C3)F)CCC(=O)O)C(=O)O)C4=NC=CC=N4
InChI=1SC22H24FN5O4c2315341617(1428(18(16)1315)10519(29)30)20(21(31)32)2682927(121126)22246172522h13467131420H25812H2(H2930)(H3132)
MFCD13761261
ZINC000036367335
ZINC000105696211
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