Vitas-M small molecule compound
3-{3-[(4-acetylpiperazin-1-yl)(carboxy)methyl]-5-methoxy-1H-indol-1-yl}propanoic acid
Catalog ID
STK942078
SMILES COc1ccc2c(c1)c(cn2CCC(=O)O)C(N1CCN(CC1)C(=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 C20H25N3O6 MW 403.44 g/mol Purity >90% as per NMR
InChI
InChI=1S/C20H25N3O6/c1-13(24)21-7-9-22(10-8-21)19(20(27)28)16-12-23(6-5-18(25)26)17-4-3-14(29-2)11-15(16)17/h3-4,11-12,19H,5-10H2,1-2H3,(H,25,26)(H,27,28)InChIKey
ROVMWVYHZHNEDL-UHFFFAOYSA-NSynonyms
1214202-03-51214202035
3(3((4acetylpiperazin1yl)(carboxy)methyl)5methoxy1Hindol1yl)propanoicacid
3(3((4acetylpiperazin1yl)carboxymethyl)5methoxyindol1yl)propanoicacid
CC(=O)N1CCN(CC1)C(C2=CN(C3=C2C=C(C=C3)OC)CCC(=O)O)C(=O)O
InChI=1SC20H25N3O6c113(24)217922(10821)19(20(27)28)161223(6518(25)26)174314(292)1115(16)17h34111219H510H212H3(H2526)(H2728)
MFCD13758660
ZINC000036359299
ZINC000036359300
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