Vitas-M small molecule compound
[5-bromo-1-(carboxymethyl)-1H-indol-3-yl]{4-[2-(dimethylamino)-2-oxoethyl]piperazin-1-yl}acetic acid
Catalog ID
STK656483
SMILES CN(C(=O)CN1CCN(CC1)C(c1cn(c2c1cc(Br)cc2)CC(=O)O)C(=O)O)C
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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 C20H25BrN4O5 MW 481.35 g/mol Purity >90% as per NMR
InChI
InChI=1S/C20H25BrN4O5/c1-22(2)17(26)11-23-5-7-24(8-6-23)19(20(29)30)15-10-25(12-18(27)28)16-4-3-13(21)9-14(15)16/h3-4,9-10,19H,5-8,11-12H2,1-2H3,(H,27,28)(H,29,30)InChIKey
AJEHZDYKCNOQDM-UHFFFAOYSA-NSynonyms
1214656-25-3(5bromo1(carboxymethyl)1Hindol3yl)(4(2(dimethylamino)2oxoethyl)piperazin1yl)aceticacid
1214656253
2(5bromo1(carboxymethyl)1Hindol3yl)2(4(2(dimethylamino)2oxoethyl)piperazin1yl)aceticacid
2(5bromo1(carboxymethyl)indol3yl)2(4(2(dimethylamino)2oxoethyl)piperazin1yl)aceticacid
CN(C)C(=O)CN1CCN(CC1)C(C2=CN(C3=C2C=C(C=C3)Br)CC(=O)O)C(=O)O
InChI=1SC20H25BrN4O5c122(2)17(26)11235724(8623)19(20(29)30)151025(1218(27)28)164313(21)914(15)16h3491019H581112H212H3(H2728)(H2930)
MFCD13755835
ZINC000036353547
ZINC000036353549
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