Vitas-M small molecule compound
2-{[cyclopentyl(hydroxy)phenylacetyl]oxy}-N-({[(3-fluorophenyl)carbonyl]oxy}methyl)-N,N-dimethylethanaminium
Catalog ID
STL371225
SMILES Fc1cccc(c1)C(=O)OC[N+](CCOC(=O)C(c1ccccc1)(C1CCCC1)O)(C)C
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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 C25H31FNO5 MW 444.52 g/mol Purity >90% as per NMR
InChI
InChI=1S/C25H31FNO5/c1-27(2,18-32-23(28)19-9-8-14-22(26)17-19)15-16-31-24(29)25(30,21-12-6-7-13-21)20-10-4-3-5-11-20/h3-5,8-11,14,17,21,30H,6-7,12-13,15-16,18H2,1-2H3/q+1InChIKey
AQQJRMOBICZDRD-UHFFFAOYSA-NSynonyms
2((cyclopentyl(hydroxy)phenylacetyl)oxy)N((((3fluorophenyl)carbonyl)oxy)methyl)NNdimethylethanaminium
2(2cyclopentyl2hydroxy2phenylacetyl)oxyethyl((3fluorobenzoyl)oxymethyl)dimethylazanium
C(N+)(C)(CCOC(=O)C(C1CCCC1)(C2=CC=CC=C2)O)COC(=O)C3=CC(=CC=C3)F
Fc1cccc(c1)C(=O)OC(N+)(CCOC(=O)C(c1ccccc1)(C1CCCC1)O)(C)C
InChI=1SC25H31FNO5c127(2183223(28)19981422(26)1719)15163124(29)25(302112671321)20104351120h3581114172130H671213151618H212H3q+1
MFCD00636351
ZINC000098086594
ZINC000098086595
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