Vitas-M small molecule compound
[1-(carboxymethyl)-6-fluoro-1H-indol-3-yl]{4-[2-oxo-2-(pyrrolidin-1-yl)ethyl]piperazin-1-yl}acetic acid
Catalog ID
STK656366
SMILES OC(=O)Cn1cc(c2c1cc(F)cc2)C(N1CCN(CC1)CC(=O)N1CCCC1)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 C22H27FN4O5 MW 446.48 g/mol Purity >90% as per NMR
InChI
InChI=1S/C22H27FN4O5/c23-15-3-4-16-17(12-27(14-20(29)30)18(16)11-15)21(22(31)32)26-9-7-24(8-10-26)13-19(28)25-5-1-2-6-25/h3-4,11-12,21H,1-2,5-10,13-14H2,(H,29,30)(H,31,32)InChIKey
YGWIPOIYLUPEAI-UHFFFAOYSA-NSynonyms
1214054-19-9(1(carboxymethyl)6fluoro1Hindol3yl)(4(2oxo2(pyrrolidin1yl)ethyl)piperazin1yl)aceticacid
1214054199
2(1(carboxymethyl)6fluoro1Hindol3yl)2(4(2oxo2(pyrrolidin1yl)ethyl)piperazin1yl)aceticacid
2(1(carboxymethyl)6fluoroindol3yl)2(4(2oxo2pyrrolidin1ylethyl)piperazin1yl)aceticacid
C1CCN(C1)C(=O)CN2CCN(CC2)C(C3=CN(C4=C3C=CC(=C4)F)CC(=O)O)C(=O)O
InChI=1SC22H27FN4O5c2315341617(1227(1420(29)30)18(16)1115)21(22(31)32)269724(81026)1319(28)25512625h34111221H125101314H2(H2930)(H3132)
MFCD13756652
ZINC000036356878
ZINC000036356879
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