Vitas-M small molecule compound
3-(3-{carboxy[4-(methylsulfonyl)piperazin-1-yl]methyl}-6-fluoro-1H-indol-1-yl)propanoic acid
Catalog ID
STK939092
SMILES OC(=O)CCn1cc(c2c1cc(F)cc2)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 C18H22FN3O6S MW 427.45 g/mol Purity >90% as per NMR
InChI
InChI=1S/C18H22FN3O6S/c1-29(27,28)22-8-6-20(7-9-22)17(18(25)26)14-11-21(5-4-16(23)24)15-10-12(19)2-3-13(14)15/h2-3,10-11,17H,4-9H2,1H3,(H,23,24)(H,25,26)InChIKey
VRVCDQIHUMQPDK-UHFFFAOYSA-NSynonyms
1214038-39-71214038397
3(3(carboxy(4(methylsulfonyl)piperazin1yl)methyl)6fluoro1Hindol1yl)propanoicacid
3(3(carboxy(4methylsulfonylpiperazin1yl)methyl)6fluoroindol1yl)propanoicacid
CS(=O)(=O)N1CCN(CC1)C(C2=CN(C3=C2C=CC(=C3)F)CCC(=O)O)C(=O)O
InChI=1SC18H22FN3O6Sc129(2728)228620(7922)17(18(25)26)141121(5416(23)24)151012(19)2313(14)15h23101117H49H21H3(H2324)(H2526)
MFCD13760925
ZINC000036366613
ZINC000036366615
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