Vitas-M small molecule compound
1-benzyl-3-{carboxy[(3R,5S)-3,5-dimethylpiperidin-1-yl]methyl}-1H-indole-6-carboxylic acid
Catalog ID
STK936132
SMILES C[C@@H]1C[C@H](C)CN(C1)C(c1cn(c2c1ccc(c2)C(=O)O)Cc1ccccc1)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 C25H28N2O4 MW 420.51 g/mol Purity >90% as per NMR
InChI
InChI=1S/C25H28N2O4/c1-16-10-17(2)13-27(12-16)23(25(30)31)21-15-26(14-18-6-4-3-5-7-18)22-11-19(24(28)29)8-9-20(21)22/h3-9,11,15-17,23H,10,12-14H2,1-2H3,(H,28,29)(H,30,31)/t16-,17+,23?InChIKey
UKBAPZSOPYWEPF-NWMVZANLSA-NSynonyms
1214858-70-41214858704
1benzyl3(carboxy((3R5S)35dimethylpiperidin1yl)methyl)1Hindole6carboxylicacid
1benzyl3(carboxy((3R5S)35dimethylpiperidin1yl)methyl)indole6carboxylicacid
C(C@@H)1C(C@H)(C)CN(C1)C(c1cn(c2c1ccc(c2)C(=O)O)Cc1ccccc1)C(=O)O
CC1CC(CN(C1)C(C2=CN(C3=C2C=CC(=C3)C(=O)O)CC4=CC=CC=C4)C(=O)O)C
InChI=1SC25H28N2O4c1161017(2)1327(1216)23(25(30)31)211526(14186435718)221119(24(28)29)8920(21)22h3911151723H101214H212H3(H2829)(H3031)t1617+23?
MFCD13756467
ZINC000036354825
ZINC000036354826
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