Vitas-M small molecule compound

1-benzyl-3-{carboxy[4-(2-cyanoethyl)piperazin-1-yl]methyl}-1H-indole-6-carboxylic acid

Catalog ID
STK939159
SMILES N#CCCN1CCN(CC1)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 C25H26N4O4 MW 446.51 g/mol Purity >90% as per NMR
InChI
InChI=1S/C25H26N4O4/c26-9-4-10-27-11-13-28(14-12-27)23(25(32)33)21-17-29(16-18-5-2-1-3-6-18)22-15-19(24(30)31)7-8-20(21)22/h1-3,5-8,15,17,23H,4,10-14,16H2,(H,30,31)(H,32,33)
InChIKey
RJXIZKMIBUUZGU-UHFFFAOYSA-N
Synonyms
1214650-78-8
1214650788
1benzyl3(carboxy(4(2cyanoethyl)piperazin1yl)methyl)1Hindole6carboxylicacid
1benzyl3(carboxy(4(2cyanoethyl)piperazin1yl)methyl)indole6carboxylicacid
C1CN(CCN1CCC#N)C(C2=CN(C3=C2C=CC(=C3)C(=O)O)CC4=CC=CC=C4)C(=O)O
InChI=1SC25H26N4O4c26941027111328(141227)23(25(32)33)211729(16185213618)221519(24(30)31)7820(21)22h1358151723H4101416H2(H3031)(H3233)
MFCD13757261
ZINC000036357611
ZINC000036357612

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Available files

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