Vitas-M small molecule compound
[1-(carboxymethyl)-6-fluoro-1H-indol-3-yl]{4-[2-(dimethylamino)-2-oxoethyl]piperazin-1-yl}acetic acid
Catalog ID
STK653680
SMILES OC(=O)Cn1cc(c2c1cc(F)cc2)C(N1CCN(CC1)CC(=O)N(C)C)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/c1-22(2)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,5-8,11-12H2,1-2H3,(H,27,28)(H,29,30)InChIKey
IGGMKWITZWECPL-UHFFFAOYSA-NSynonyms
1214813-21-4(1(carboxymethyl)6fluoro1Hindol3yl)(4(2(dimethylamino)2oxoethyl)piperazin1yl)aceticacid
1214813214
2(1(carboxymethyl)6fluoro1Hindol3yl)2(4(2(dimethylamino)2oxoethyl)piperazin1yl)aceticacid
2(1(carboxymethyl)6fluoroindol3yl)2(4(2(dimethylamino)2oxoethyl)piperazin1yl)aceticacid
CN(C)C(=O)CN1CCN(CC1)C(C2=CN(C3=C2C=CC(=C3)F)CC(=O)O)C(=O)O
InChI=1SC20H25FN4O5c122(2)17(26)11235724(8623)19(20(29)30)151025(1218(27)28)16913(21)3414(15)16h3491019H581112H212H3(H2728)(H2930)
MFCD13757764
ZINC000036358220
ZINC000036358221
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