Vitas-M small molecule compound

octyl 7-(2-methoxyphenyl)-5-methyl-4,7-dihydro[1,2,4]triazolo[1,5-a]pyrimidine-6-carboxylate

Catalog ID
STL192226
SMILES CCCCCCCCOC(=O)C1=C(C)Nc2n(C1c1ccccc1OC)ncn2

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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 C22H30N4O3 MW 398.51 g/mol Purity >90% as per NMR
InChI
InChI=1S/C22H30N4O3/c1-4-5-6-7-8-11-14-29-21(27)19-16(2)25-22-23-15-24-26(22)20(19)17-12-9-10-13-18(17)28-3/h9-10,12-13,15,20H,4-8,11,14H2,1-3H3,(H,23,24,25)
InChIKey
RVJOAASTXDGJSM-UHFFFAOYSA-N
Synonyms

CCCCCCCCOC(=O)C1=C(N=C2N=CNN2C1C3=CC=CC=C3OC)C
InChI=1SC22H30N4O3c14567811142921(27)1916(2)252223152426(22)20(19)17129101318(17)283h91012131520H481114H213H3(H232425)
MFCD14729999
octyl7(2methoxyphenyl)5methyl17dihydro(124)triazolo(15a)pyrimidine6carboxylate
octyl7(2methoxyphenyl)5methyl47dihydro(124)triazolo(15a)pyrimidine6carboxylate
ZINC000101284503
ZINC000101284507

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Available files

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