Vitas-M small molecule compound

methyl 2-[3-(5,6-dimethyl-1H-benzimidazol-1-yl)-2-hydroxypropoxy]benzoate

Catalog ID
STK842613
SMILES COC(=O)c1ccccc1OCC(Cn1cnc2c1cc(C)c(c2)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 C20H22N2O4 MW 354.41 g/mol Purity >90% as per NMR
InChI
InChI=1S/C20H22N2O4/c1-13-8-17-18(9-14(13)2)22(12-21-17)10-15(23)11-26-19-7-5-4-6-16(19)20(24)25-3/h4-9,12,15,23H,10-11H2,1-3H3
InChIKey
JOHQZACENGYWCC-UHFFFAOYSA-N
Synonyms
487032-44-0
487032440
CC1=CC2=C(C=C1C)N(C=N2)CC(COC3=CC=CC=C3C(=O)OC)O
InChI=1SC20H22N2O4c11381718(914(13)2)22(122117)1015(23)112619754616(19)20(24)253h49121523H1011H213H3
methyl2(3(56dimethyl1Hbenzimidazol1yl)2hydroxypropoxy)benzoate
methyl2(3(56dimethyl1Hbenzo(d)imidazol1yl)2hydroxypropoxy)benzoate
METHYL2(3(56DIMETHYLBENZIMIDAZOL1YL)2HYDROXYPROPOXY)BENZOATE
MFCD01409388
ZINC000000785917
ZINC000000785920

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Available files

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