Vitas-M small molecule compound
[1-(carboxymethyl)-6-fluoro-1H-indol-3-yl]{4-[2-(ethylamino)-2-oxoethyl]piperazin-1-yl}acetic acid
Catalog ID
STK649417
SMILES CCNC(=O)CN1CCN(CC1)C(c1cn(c2c1ccc(c2)F)CC(=O)O)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 C20H25FN4O5 MW 420.44 g/mol Purity >90% as per NMR
InChI
InChI=1S/C20H25FN4O5/c1-2-22-17(26)11-23-5-7-24(8-6-23)19(20(29)30)15-10-25(12-18(27)28)16-9-13(21)3-4-14(15)16/h3-4,9-10,19H,2,5-8,11-12H2,1H3,(H,22,26)(H,27,28)(H,29,30)InChIKey
VHZQRNNIGMWWDJ-UHFFFAOYSA-NSynonyms
1214183-51-3(1(carboxymethyl)6fluoro1Hindol3yl)(4(2(ethylamino)2oxoethyl)piperazin1yl)aceticacid
1214183513
2(1(carboxymethyl)6fluoro1Hindol3yl)2(4(2(ethylamino)2oxoethyl)piperazin1yl)aceticacid
2(1(carboxymethyl)6fluoroindol3yl)2(4(2(ethylamino)2oxoethyl)piperazin1yl)aceticacid
CCNC(=O)CN1CCN(CC1)C(C2=CN(C3=C2C=CC(=C3)F)CC(=O)O)C(=O)O
InChI=1SC20H25FN4O5c122217(26)11235724(8623)19(20(29)30)151025(1218(27)28)16913(21)3414(15)16h3491019H2581112H21H3(H2226)(H2728)(H2930)
MFCD13761139
ZINC000036367062
ZINC000036367064
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