Vitas-M small molecule compound

3-(3-{carboxy[4-(methylsulfonyl)piperazin-1-yl]methyl}-5-methoxy-1H-indol-1-yl)propanoic acid

Catalog ID
STK936483
SMILES COc1ccc2c(c1)c(cn2CCC(=O)O)C(N1CCN(CC1)S(=O)(=O)C)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 C19H25N3O7S MW 439.49 g/mol Purity >90% as per NMR
InChI
InChI=1S/C19H25N3O7S/c1-29-13-3-4-16-14(11-13)15(12-21(16)6-5-17(23)24)18(19(25)26)20-7-9-22(10-8-20)30(2,27)28/h3-4,11-12,18H,5-10H2,1-2H3,(H,23,24)(H,25,26)
InChIKey
HDSLDFSSUAWEJE-UHFFFAOYSA-N
Synonyms
1214021-24-5
1214021245
3(3(carboxy(4(methylsulfonyl)piperazin1yl)methyl)5methoxy1Hindol1yl)propanoicacid
3(3(carboxy(4methylsulfonylpiperazin1yl)methyl)5methoxyindol1yl)propanoicacid
COC1=CC2=C(C=C1)N(C=C2C(C(=O)O)N3CCN(CC3)S(=O)(=O)C)CCC(=O)O
InChI=1SC19H25N3O7Sc12913341614(1113)15(1221(16)6517(23)24)18(19(25)26)207922(10820)30(227)28h34111218H510H212H3(H2324)(H2526)
MFCD13760975
ZINC000036366731
ZINC000036366732

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Available files

Download the SDF, MOL, 3D structure and SDS documents from Vitas-M.