Vitas-M small molecule compound
3-{3-[(4-acetylpiperazin-1-yl)(carboxy)methyl]-6-bromo-1H-indol-1-yl}propanoic acid
Catalog ID
STK656048
SMILES OC(=O)CCn1cc(c2c1cc(Br)cc2)C(N1CCN(CC1)C(=O)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 C19H22BrN3O5 MW 452.30 g/mol Purity >90% as per NMR
InChI
InChI=1S/C19H22BrN3O5/c1-12(24)21-6-8-22(9-7-21)18(19(27)28)15-11-23(5-4-17(25)26)16-10-13(20)2-3-14(15)16/h2-3,10-11,18H,4-9H2,1H3,(H,25,26)(H,27,28)InChIKey
XMPUIJKXRQNSPI-UHFFFAOYSA-NSynonyms
1214128-93-41214128934
3(3((4acetylpiperazin1yl)(carboxy)methyl)6bromo1Hindol1yl)propanoicacid
3(3((4acetylpiperazin1yl)carboxymethyl)6bromoindol1yl)propanoicacid
CC(=O)N1CCN(CC1)C(C2=CN(C3=C2C=CC(=C3)Br)CCC(=O)O)C(=O)O
InChI=1SC19H22BrN3O5c112(24)216822(9721)18(19(27)28)151123(5417(25)26)161013(20)2314(15)16h23101118H49H21H3(H2526)(H2728)
MFCD13759394
ZINC000036360176
ZINC000036360177
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