Vitas-M small molecule compound
3-{carboxy[4-(methylsulfonyl)piperazin-1-yl]methyl}-1-methyl-1H-indole-2-carboxylic acid
Catalog ID
STK931244
SMILES OC(=O)C(c1c(C(=O)O)n(c2c1cccc2)C)N1CCN(CC1)S(=O)(=O)C
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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 C17H21N3O6S MW 395.44 g/mol Purity >90% as per NMR
InChI
InChI=1S/C17H21N3O6S/c1-18-12-6-4-3-5-11(12)13(14(18)16(21)22)15(17(23)24)19-7-9-20(10-8-19)27(2,25)26/h3-6,15H,7-10H2,1-2H3,(H,21,22)(H,23,24)InChIKey
KIXHHKSQNCXERV-UHFFFAOYSA-NSynonyms
1214118-91-81214118918
3(carboxy(4(methylsulfonyl)piperazin1yl)methyl)1methyl1Hindole2carboxylicacid
3(carboxy(4methylsulfonylpiperazin1yl)methyl)1methylindole2carboxylicacid
CN1C2=CC=CC=C2C(=C1C(=O)O)C(C(=O)O)N3CCN(CC3)S(=O)(=O)C
InChI=1SC17H21N3O6Sc11812643511(12)13(14(18)16(21)22)15(17(23)24)197920(10819)27(225)26h3615H710H212H3(H2122)(H2324)
MFCD13756698
ZINC000036356939
ZINC000036356940
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