Vitas-M small molecule compound
3-(3-{carboxy[4-(1,1-dioxidotetrahydrothiophen-3-yl)piperazin-1-yl]methyl}-6-fluoro-1H-indol-1-yl)propanoic acid
Catalog ID
STK933549
SMILES OC(=O)CCn1cc(c2c1cc(F)cc2)C(N1CCN(CC1)C1CCS(=O)(=O)C1)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 C21H26FN3O6S MW 467.52 g/mol Purity >90% as per NMR
InChI
InChI=1S/C21H26FN3O6S/c22-14-1-2-16-17(12-25(18(16)11-14)5-3-19(26)27)20(21(28)29)24-8-6-23(7-9-24)15-4-10-32(30,31)13-15/h1-2,11-12,15,20H,3-10,13H2,(H,26,27)(H,28,29)InChIKey
CGIDWRLEKBXLTF-UHFFFAOYSA-NSynonyms
1214853-62-91214853629
3(3(carboxy(4(11dioxidotetrahydrothiophen3yl)piperazin1yl)methyl)6fluoro1Hindol1yl)propanoicacid
3(3(carboxy(4(11dioxothiolan3yl)piperazin1yl)methyl)6fluoroindol1yl)propanoicacid
C1CS(=O)(=O)CC1N2CCN(CC2)C(C3=CN(C4=C3C=CC(=C4)F)CCC(=O)O)C(=O)O
InChI=1SC21H26FN3O6Sc2214121617(1225(18(16)1114)5319(26)27)20(21(28)29)248623(7924)1541032(3031)1315h1211121520H31013H2(H2627)(H2829)
MFCD13760383
ZINC000036365454
ZINC000036365459
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