Vitas-M small molecule compound
3-{6-bromo-3-[carboxy(4-formylpiperazin-1-yl)methyl]-1H-indol-1-yl}propanoic acid
Catalog ID
STK656102
SMILES O=CN1CCN(CC1)C(c1cn(c2c1ccc(c2)Br)CCC(=O)O)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 C18H20BrN3O5 MW 438.28 g/mol Purity >90% as per NMR
InChI
InChI=1S/C18H20BrN3O5/c19-12-1-2-13-14(10-22(15(13)9-12)4-3-16(24)25)17(18(26)27)21-7-5-20(11-23)6-8-21/h1-2,9-11,17H,3-8H2,(H,24,25)(H,26,27)InChIKey
XQAKIYUWDNYGKN-UHFFFAOYSA-NSynonyms
1214669-64-31214669643
3(6bromo3(carboxy(4formylpiperazin1yl)methyl)1Hindol1yl)propanoicacid
3(6bromo3(carboxy(4formylpiperazin1yl)methyl)indol1yl)propanoicacid
C1CN(CCN1C=O)C(C2=CN(C3=C2C=CC(=C3)Br)CCC(=O)O)C(=O)O
InChI=1SC18H20BrN3O5c1912121314(1022(15(13)912)4316(24)25)17(18(26)27)217520(1123)6821h1291117H38H2(H2425)(H2627)
MFCD13755924
ZINC000036353704
ZINC000036353705
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