Vitas-M small molecule compound
3-(3-{[4-(1,3-benzodioxol-5-ylmethyl)piperazin-1-yl](carboxy)methyl}-6-fluoro-1H-indol-1-yl)propanoic acid
Catalog ID
STK655288
SMILES OC(=O)CCn1cc(c2c1cc(F)cc2)C(N1CCN(CC1)Cc1ccc2c(c1)OCO2)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 C25H26FN3O6 MW 483.50 g/mol Purity >90% as per NMR
InChI
InChI=1S/C25H26FN3O6/c26-17-2-3-18-19(14-29(20(18)12-17)6-5-23(30)31)24(25(32)33)28-9-7-27(8-10-28)13-16-1-4-21-22(11-16)35-15-34-21/h1-4,11-12,14,24H,5-10,13,15H2,(H,30,31)(H,32,33)InChIKey
HEIPHFZROJLNAD-UHFFFAOYSA-NSynonyms
1214029-00-11214029001
3(3((4(13benzodioxol5ylmethyl)piperazin1yl)(carboxy)methyl)6fluoro1Hindol1yl)propanoicacid
3(3((4(13benzodioxol5ylmethyl)piperazin1yl)carboxymethyl)6fluoroindol1yl)propanoicacid
3(3((4(benzo(d)(13)dioxol5ylmethyl)piperazin1yl)(carboxy)methyl)6fluoro1Hindol1yl)propanoicacid
C1CN(CCN1CC2=CC3=C(C=C2)OCO3)C(C4=CN(C5=C4C=CC(=C5)F)CCC(=O)O)C(=O)O
InChI=1SC25H26FN3O6c2617231819(1429(20(18)1217)6523(30)31)24(25(32)33)289727(81028)1316142122(1116)35153421h1411121424H5101315H2(H3031)(H3233)
MFCD13756536
ZINC000036354944
ZINC000036354946
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