Vitas-M small molecule compound
3-[carboxy(4-{2-oxo-2-[(tetrahydrofuran-2-ylmethyl)amino]ethyl}piperazin-1-yl)methyl]-1-methyl-1H-indole-5-carboxylic acid
Catalog ID
STK657928
SMILES O=C(CN1CCN(CC1)C(c1cn(c2c1cc(cc2)C(=O)O)C)C(=O)O)NCC1CCCO1
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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 C23H30N4O6 MW 458.51 g/mol Purity >90% as per NMR
InChI
InChI=1S/C23H30N4O6/c1-25-13-18(17-11-15(22(29)30)4-5-19(17)25)21(23(31)32)27-8-6-26(7-9-27)14-20(28)24-12-16-3-2-10-33-16/h4-5,11,13,16,21H,2-3,6-10,12,14H2,1H3,(H,24,28)(H,29,30)(H,31,32)InChIKey
DEBIBEXKSPUJON-UHFFFAOYSA-NSynonyms
1214182-94-11214182941
3(carboxy(4(2oxo2(((tetrahydrofuran2yl)methyl)amino)ethyl)piperazin1yl)methyl)1methyl1Hindole5carboxylicacid
3(carboxy(4(2oxo2((tetrahydrofuran2ylmethyl)amino)ethyl)piperazin1yl)methyl)1methyl1Hindole5carboxylicacid
3(carboxy(4(2oxo2(oxolan2ylmethylamino)ethyl)piperazin1yl)methyl)1methylindole5carboxylicacid
CN1C=C(C2=C1C=CC(=C2)C(=O)O)C(C(=O)O)N3CCN(CC3)CC(=O)NCC4CCCO4
InChI=1SC23H30N4O6c1251318(171115(22(29)30)4519(17)25)21(23(31)32)278626(7927)1420(28)24121632103316h4511131621H236101214H21H3(H2428)(H2930)(H3132)
MFCD13760564
ZINC000036365833
ZINC000036365840
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