Vitas-M small molecule compound

methyl 2-{5-[(4-chlorophenyl)(dimethylamino)methyl]-1H-tetrazol-1-yl}benzoate

Catalog ID
STK507488
SMILES COC(=O)c1ccccc1n1nnnc1C(c1ccc(cc1)Cl)N(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 C18H18ClN5O2 MW 371.83 g/mol Purity >90% as per NMR
InChI
InChI=1S/C18H18ClN5O2/c1-23(2)16(12-8-10-13(19)11-9-12)17-20-21-22-24(17)15-7-5-4-6-14(15)18(25)26-3/h4-11,16H,1-3H3
InChIKey
HOOMUYAJVOKZOA-UHFFFAOYSA-N
Synonyms

CN(C)C(C1=CC=C(C=C1)Cl)C2=NN=NN2C3=CC=CC=C3C(=O)OC
InChI=1SC18H18ClN5O2c123(2)16(1281013(19)11912)1720212224(17)15754614(15)18(25)263h41116H13H3
METHYL2(5((4CHLOROPHENYL)(DIMETHYLAMINO)METHYL)1HTETRAAZOL1YL)BENZOATE
methyl2(5((4chlorophenyl)(dimethylamino)methyl)1Htetrazol1yl)benzoate
methyl2(5((4chlorophenyl)(dimethylamino)methyl)tetrazol1yl)benzoate
MFCD13369419
ZINC000035170809
ZINC000035170810

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Available files

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