Vitas-M small molecule compound

3-methylbutyl [4-(dimethylamino)phenyl][hydroxy(3,4,5-trimethoxyphenyl)methyl]phosphinate

Catalog ID
STK555439
SMILES COc1cc(cc(c1OC)OC)C(P(=O)(c1ccc(cc1)N(C)C)OCCC(C)C)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 C23H34NO6P MW 451.50 g/mol Purity >90% as per NMR
InChI
InChI=1S/C23H34NO6P/c1-16(2)12-13-30-31(26,19-10-8-18(9-11-19)24(3)4)23(25)17-14-20(27-5)22(29-7)21(15-17)28-6/h8-11,14-16,23,25H,12-13H2,1-7H3
InChIKey
LOMUWQZWYSXTKI-UHFFFAOYSA-N
Synonyms

((4(dimethylamino)phenyl)(3methylbutoxy)phosphoryl)(345trimethoxyphenyl)methanol
((4DIMETHYLAMINOPHENYL)(3METHYLBUTOXY)PHOSPHORYL)(345TRIMETHOXYPHENYL)METHANOL
(4DIMETHYLAMINOPHENYL)(HYDROXY(345TRIMETHOXYPHENYL)METHYL)PHOSPHINICACID3METHYLBUTYLESTER
3methylbutyl(4(dimethylamino)phenyl)(hydroxy(345trimethoxyphenyl)methyl)phosphinate
CC(C)CCOP(=O)(C1=CC=C(C=C1)N(C)C)C(C2=CC(=C(C(=C2)OC)OC)OC)O
InChI=1SC23H34NO6Pc116(2)12133031(261910818(91119)24(3)4)23(25)171420(275)22(297)21(1517)286h81114162325H1213H217H3
isopentyl(4(dimethylamino)phenyl)(hydroxy(345trimethoxyphenyl)methyl)phosphinate
ISOPENTYL4(DIMETHYLAMINO)PHENYL(HYDROXY(345TRIMETHOXYPHENYL)METHYL)PHOSPHINATE
MFCD03268765
ZINC000002106866
ZINC000002106870

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Available files

Download the SDF, MOL, 3D structure and SDS documents from Vitas-M.