Vitas-M small molecule compound
3-[6-bromo-3-(carboxy{4-[2-(dimethylamino)-2-oxoethyl]piperazin-1-yl}methyl)-1H-indol-1-yl]propanoic acid
Catalog ID
STK658674
SMILES OC(=O)CCn1cc(c2c1cc(Br)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 C21H27BrN4O5 MW 495.37 g/mol Purity >90% as per NMR
InChI
InChI=1S/C21H27BrN4O5/c1-23(2)18(27)13-24-7-9-25(10-8-24)20(21(30)31)16-12-26(6-5-19(28)29)17-11-14(22)3-4-15(16)17/h3-4,11-12,20H,5-10,13H2,1-2H3,(H,28,29)(H,30,31)InChIKey
XTWZMKRAVNDBQB-UHFFFAOYSA-NSynonyms
1214818-61-71214818617
3(6bromo3(carboxy(4(2(dimethylamino)2oxoethyl)piperazin1yl)methyl)1Hindol1yl)propanoicacid
3(6bromo3(carboxy(4(2(dimethylamino)2oxoethyl)piperazin1yl)methyl)indol1yl)propanoicacid
CN(C)C(=O)CN1CCN(CC1)C(C2=CN(C3=C2C=CC(=C3)Br)CCC(=O)O)C(=O)O
InChI=1SC21H27BrN4O5c123(2)18(27)13247925(10824)20(21(30)31)161226(6519(28)29)171114(22)3415(16)17h34111220H51013H212H3(H2829)(H3031)
MFCD13758745
ZINC000036359415
ZINC000036359416
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