Vitas-M small molecule compound

3-({[4-(3-chlorophenyl)piperazin-1-yl]acetyl}amino)-5-methyl-1H-indole-2-carboxylic acid

Catalog ID
STL349512
SMILES O=C(Nc1c([nH]c2c1cc(C)cc2)C(=O)O)CN1CCN(CC1)c1cccc(c1)Cl

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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 C22H23ClN4O3 MW 426.90 g/mol Purity >90% as per NMR
InChI
InChI=1S/C22H23ClN4O3/c1-14-5-6-18-17(11-14)20(21(24-18)22(29)30)25-19(28)13-26-7-9-27(10-8-26)16-4-2-3-15(23)12-16/h2-6,11-12,24H,7-10,13H2,1H3,(H,25,28)(H,29,30)
InChIKey
BRJZCEMUVXUOFM-UHFFFAOYSA-N
Synonyms
384349-51-3
3(((4(3chlorophenyl)piperazin1yl)acetyl)amino)5methyl1Hindole2carboxylicacid
3((2(4(3chlorophenyl)piperazin1ium1yl)acetyl)amino)5methyl1Hindole2carboxylate
3((2(4(3CHLOROPHENYL)PIPERAZIN1YL)ACETYL)AMINO)5METHYL1HINDOLE2CARBOXYLICACID
3(2(4(3CHLOROPHENYL)PIPERAZIN1YL)ACETAMIDO)5METHYL1HINDOLE2CARBOXYLICACID
384349513
CC1=CC2=C(C=C1)NC(=C2NC(=O)C(NH+)3CCN(CC3)C4=CC(=CC=C4)Cl)C(=O)(O)
InChI=1SC22H23ClN4O3c114561817(1114)20(21(2418)22(29)30)2519(28)13267927(10826)1642315(23)1216h26111224H71013H21H3(H2528)(H2930)
MFCD03285152
O=C(Nc1c((nH)c2c1cc(C)cc2)C(=O)O)CN1CCN(CC1)c1cccc(c1)Cl
ZINC000009266716
ZINC9266716

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Available files

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