Vitas-M small molecule compound
3-{carboxy[4-(4-fluorophenyl)piperazin-1-yl]methyl}-1-methyl-1H-indole-5-carboxylic acid
Catalog ID
STK941434
SMILES OC(=O)C(c1cn(c2c1cc(cc2)C(=O)O)C)N1CCN(CC1)c1ccc(cc1)F
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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 C22H22FN3O4 MW 411.43 g/mol Purity >90% as per NMR
InChI
InChI=1S/C22H22FN3O4/c1-24-13-18(17-12-14(21(27)28)2-7-19(17)24)20(22(29)30)26-10-8-25(9-11-26)16-5-3-15(23)4-6-16/h2-7,12-13,20H,8-11H2,1H3,(H,27,28)(H,29,30)InChIKey
PKWVBXFZNWSBRN-UHFFFAOYSA-NSynonyms
1214826-54-61214826546
3(carboxy(4(4fluorophenyl)piperazin1yl)methyl)1methyl1Hindole5carboxylicacid
3(carboxy(4(4fluorophenyl)piperazin1yl)methyl)1methylindole5carboxylicacid
CN1C=C(C2=C1C=CC(=C2)C(=O)O)C(C(=O)O)N3CCN(CC3)C4=CC=C(C=C4)F
InChI=1SC22H22FN3O4c1241318(171214(21(27)28)2719(17)24)20(22(29)30)2610825(91126)165315(23)4616h27121320H811H21H3(H2728)(H2930)
MFCD13757455
ZINC000036357836
ZINC000036357837
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