Vitas-M small molecule compound
4-[(3-{carboxy[(3R,5S)-3,5-dimethylpiperidin-1-yl]methyl}-1H-indol-6-yl)amino]-4-oxobutanoic acid
Catalog ID
STK659975
SMILES C[C@@H]1C[C@H](C)CN(C1)C(c1c[nH]c2c1ccc(c2)NC(=O)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 C21H27N3O5 MW 401.46 g/mol Purity >90% as per NMR
InChI
InChI=1S/C21H27N3O5/c1-12-7-13(2)11-24(10-12)20(21(28)29)16-9-22-17-8-14(3-4-15(16)17)23-18(25)5-6-19(26)27/h3-4,8-9,12-13,20,22H,5-7,10-11H2,1-2H3,(H,23,25)(H,26,27)(H,28,29)/t12-,13+,20?InChIKey
JTIIMYXIPJVYIM-QNBIARANSA-NSynonyms
1213985-37-51213985375
4((3(carboxy((3R5S)35dimethylpiperidin1yl)methyl)1Hindol6yl)amino)4oxobutanoicacid
4((3(carboxy((3S5R)35dimethylpiperidin1yl)methyl)1Hindol6yl)amino)4oxobutanoicacid
C(C@@H)1C(C@H)(C)CN(C1)C(c1c(nH)c2c1ccc(c2)NC(=O)CCC(=O)O)C(=O)O
CC1CC(CN(C1)C(C2=CNC3=C2C=CC(=C3)NC(=O)CCC(=O)O)C(=O)O)C
InChI=1SC21H27N3O5c112713(2)1124(1012)20(21(28)29)1692217814(3415(16)17)2318(25)5619(26)27h348912132022H571011H212H3(H2325)(H2627)(H2829)t1213+20?
MFCD14236646
ZINC000031818454
ZINC000031818459
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