Vitas-M small molecule compound
[4-(2,3-dihydro-1,4-benzodioxin-2-ylcarbonyl)piperazin-1-yl](6-fluoro-1H-indol-3-yl)acetic acid
Catalog ID
STL234572
SMILES Fc1ccc2c(c1)[nH]cc2C(N1CCN(CC1)C(=O)C1COc2c(O1)cccc2)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 C23H22FN3O5 MW 439.44 g/mol Purity >90% as per NMR
InChI
InChI=1S/C23H22FN3O5/c24-14-5-6-15-16(12-25-17(15)11-14)21(23(29)30)26-7-9-27(10-8-26)22(28)20-13-31-18-3-1-2-4-19(18)32-20/h1-6,11-12,20-21,25H,7-10,13H2,(H,29,30)InChIKey
IZKLCXFMNSMAPW-UHFFFAOYSA-NSynonyms
1081131-08-9(4(23dihydro14benzodioxin2ylcarbonyl)piperazin1yl)(6fluoro1Hindol3yl)aceticacid
1081131089
2(4(23dihydro14benzodioxine3carbonyl)piperazin1yl)2(6fluoro1Hindol3yl)aceticacid
2(4(23dihydrobenzo(b)(14)dioxine2carbonyl)piperazin1yl)2(6fluoro1Hindol3yl)aceticacid
C1CN(CCN1C(C2=CNC3=C2C=CC(=C3)F)C(=O)O)C(=O)C4COC5=CC=CC=C5O4
Fc1ccc2c(c1)(nH)cc2C(N1CCN(CC1)C(=O)C1COc2c(O1)cccc2)C(=O)O
InChI=1SC23H22FN3O5c2414561516(122517(15)1114)21(23(29)30)267927(10826)22(28)20133118312419(18)3220h161112202125H71013H2(H2930)
MFCD12206767
ZINC000020723371
ZINC000020723378
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