Vitas-M small molecule compound

7-(3-chlorophenyl)-2-methyl-3,7-dihydro[1,2,4]triazolo[1,5-a]pyrimidine-5-carboxylic acid

Catalog ID
STK633067
SMILES Clc1cccc(c1)C1C=C(N=c2n1nc([nH]2)C)C(=O)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 C13H11ClN4O2 MW 290.71 g/mol Purity >90% as per NMR
InChI
InChI=1S/C13H11ClN4O2/c1-7-15-13-16-10(12(19)20)6-11(18(13)17-7)8-3-2-4-9(14)5-8/h2-6,11H,1H3,(H,19,20)(H,15,16,17)
InChIKey
ADIXMGADDMBKGY-UHFFFAOYSA-N
Synonyms
1010921-48-8
1010921488
7(3chlorophenyl)2methyl17dihydro(124)triazolo(15a)pyrimidine5carboxylicacid
7(3chlorophenyl)2methyl37dihydro(124)triazolo(15a)pyrimidine5carboxylicacid
CC1=NC2=NC(=CC(N2N1)C3=CC(=CC=C3)Cl)C(=O)O
Clc1cccc(c1)C1C=C(N=c2n1nc((nH)2)C)C(=O)O
InChI=1SC13H11ClN4O2c1715131610(12(19)20)611(18(13)177)83249(14)58h2611H1H3(H1920)(H151617)
MFCD18159978
ZINC000012389541
ZINC000012389542

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Available files

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