Vitas-M small molecule compound
3-{6-bromo-3-[carboxy(4-ethylpiperazin-1-yl)methyl]-1H-indol-1-yl}propanoic acid
Catalog ID
STK660459
SMILES CCN1CCN(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 C19H24BrN3O4 MW 438.32 g/mol Purity >90% as per NMR
InChI
InChI=1S/C19H24BrN3O4/c1-2-21-7-9-22(10-8-21)18(19(26)27)15-12-23(6-5-17(24)25)16-11-13(20)3-4-14(15)16/h3-4,11-12,18H,2,5-10H2,1H3,(H,24,25)(H,26,27)InChIKey
NGCOBOFRPZHLCG-UHFFFAOYSA-NSynonyms
1214105-53-91214105539
3(6bromo3(carboxy(4ethylpiperazin1yl)methyl)1Hindol1yl)propanoicacid
3(6bromo3(carboxy(4ethylpiperazin1yl)methyl)indol1yl)propanoicacid
CCN1CCN(CC1)C(C2=CN(C3=C2C=CC(=C3)Br)CCC(=O)O)C(=O)O
InChI=1SC19H24BrN3O4c12217922(10821)18(19(26)27)151223(6517(24)25)161113(20)3414(15)16h34111218H2510H21H3(H2425)(H2627)
MFCD13758961
ZINC000036359658
ZINC000036359659
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