Vitas-M small molecule compound

3-(4-tert-butylphenyl)-7-methyl-7H-pyrazolo[4,3-e][1,2,4]triazolo[4,3-c]pyrimidine

Catalog ID
STK850443
SMILES Cn1ncc2c1ncn1c2nnc1c1ccc(cc1)C(C)(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 C17H18N6 MW 306.37 g/mol Purity >90% as per NMR
InChI
InChI=1S/C17H18N6/c1-17(2,3)12-7-5-11(6-8-12)14-20-21-16-13-9-19-22(4)15(13)18-10-23(14)16/h5-10H,1-4H3
InChIKey
JIWPAGPIOUOILW-UHFFFAOYSA-N
Synonyms
900888-79-1
3(4(TERTBUTYL)PHENYL)7METHYL7HPYRAZOLO(43E)(124)TRIAZOLO(43C)PYRIMIDINE
3(4tertbutylphenyl)7methyl7Hpyrazolo(43e)(124)triazolo(43c)pyrimidine
7(4(TERTBUTYL)PHENYL)3METHYL6HYDROPYRAZOLO(54D)124TRIAZOLO(43E)PYRIMIDINE
900888791
CC(C)(C)C1=CC=C(C=C1)C2=NN=C3N2C=NC4=C3C=NN4C
InChI=1SC17H18N6c117(23)127511(6812)142021161391922(4)15(13)181023(14)16h510H14H3
MFCD06779319
ZINC000005305558
ZINC05305558
ZINC5305558

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Available files

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