Vitas-M small molecule compound
[5-bromo-1-(carboxymethyl)-1H-indol-3-yl]{4-[(4-methyl-1,2,5-oxadiazol-3-yl)methyl]piperazin-1-yl}acetic acid
Catalog ID
STK656355
SMILES OC(=O)Cn1cc(c2c1ccc(c2)Br)C(N1CCN(CC1)Cc1nonc1C)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 C20H22BrN5O5 MW 492.33 g/mol Purity >90% as per NMR
InChI
InChI=1S/C20H22BrN5O5/c1-12-16(23-31-22-12)10-24-4-6-25(7-5-24)19(20(29)30)15-9-26(11-18(27)28)17-3-2-13(21)8-14(15)17/h2-3,8-9,19H,4-7,10-11H2,1H3,(H,27,28)(H,29,30)InChIKey
IBOLPJLGVDBKPA-UHFFFAOYSA-NSynonyms
1214078-53-1(5bromo1(carboxymethyl)1Hindol3yl)(4((4methyl125oxadiazol3yl)methyl)piperazin1yl)aceticacid
1214078531
2(5bromo1(carboxymethyl)1Hindol3yl)2(4((4methyl125oxadiazol3yl)methyl)piperazin1yl)aceticacid
2(5bromo1(carboxymethyl)indol3yl)2(4((4methyl125oxadiazol3yl)methyl)piperazin1yl)aceticacid
CC1=NON=C1CN2CCN(CC2)C(C3=CN(C4=C3C=C(C=C4)Br)CC(=O)O)C(=O)O
InChI=1SC20H22BrN5O5c11216(23312212)10244625(7524)19(20(29)30)15926(1118(27)28)173213(21)814(15)17h238919H471011H21H3(H2728)(H2930)
MFCD13761191
ZINC000036367178
ZINC000036367179
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