Vitas-M small molecule compound

3-(6-bromo-3-{carboxy[(3R,5S)-3,5-dimethylpiperidin-1-yl]methyl}-1H-indol-1-yl)propanoic acid

Catalog ID
STK649444
SMILES C[C@@H]1C[C@H](C)CN(C1)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 C20H25BrN2O4 MW 437.33 g/mol Purity >90% as per NMR
InChI
InChI=1S/C20H25BrN2O4/c1-12-7-13(2)10-23(9-12)19(20(26)27)16-11-22(6-5-18(24)25)17-8-14(21)3-4-15(16)17/h3-4,8,11-13,19H,5-7,9-10H2,1-2H3,(H,24,25)(H,26,27)/t12-,13+,19?
InChIKey
MZXHLOZBLINGGU-ZHZUQJFRSA-N
Synonyms
1214098-84-6
1214098846
3(6bromo3(carboxy((3R5S)35dimethylpiperidin1yl)methyl)1Hindol1yl)propanoicacid
3(6bromo3(carboxy((3R5S)35dimethylpiperidin1yl)methyl)indol1yl)propanoicacid
3(6bromo3(carboxy((3S5R)35dimethylpiperidin1yl)methyl)1Hindol1yl)propanoicacid
C(C@@H)1C(C@H)(C)CN(C1)C(c1cn(c2c1ccc(c2)Br)CCC(=O)O)C(=O)O
CC1CC(CN(C1)C(C2=CN(C3=C2C=CC(=C3)Br)CCC(=O)O)C(=O)O)C
InChI=1SC20H25BrN2O4c112713(2)1023(912)19(20(26)27)161122(6518(24)25)17814(21)3415(16)17h348111319H57910H212H3(H2425)(H2627)t1213+19?
MFCD13759625
ZINC000036360455
ZINC000036360456

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Available files

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