Vitas-M small molecule compound

3-[(2,2-dimethyl-3,4-dihydro-2H-chromen-6-yl)methyl][1,2,4]triazolo[3,4-a]phthalazine

Catalog ID
STK634693
SMILES CC1(C)CCc2c(O1)ccc(c2)Cc1nnc2n1ncc1c2cccc1

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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 C21H20N4O MW 344.42 g/mol Purity >90% as per NMR
InChI
InChI=1S/C21H20N4O/c1-21(2)10-9-15-11-14(7-8-18(15)26-21)12-19-23-24-20-17-6-4-3-5-16(17)13-22-25(19)20/h3-8,11,13H,9-10,12H2,1-2H3
InChIKey
OWXPORCGIYPMTJ-UHFFFAOYSA-N
Synonyms
1081124-57-3
1081124573
3((22dimethyl34dihydro2Hchromen6yl)methyl)(124)triazolo(34a)phthalazine
3((22dimethyl34dihydrochromen6yl)methyl)(124)triazolo(34a)phthalazine
3((22dimethylchroman6yl)methyl)(124)triazolo(34a)phthalazine
CC1(CCC2=C(O1)C=CC(=C2)CC3=NN=C4N3N=CC5=CC=CC=C54)C
InChI=1SC21H20N4Oc121(2)109151114(7818(15)2621)121923242017643516(17)132225(19)20h381113H91012H212H3
MFCD12208853
ZINC000020735796
ZINC20735796

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Available files

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