Vitas-M small molecule compound
2-{1-[8,9-dimethyl-7-(pyridin-2-ylmethyl)-7H-pyrrolo[3,2-e][1,2,4]triazolo[1,5-c]pyrimidin-2-yl]-3-methylbutyl}-1H-isoindole-1,3(2H)-dione
Catalog ID
STK623379
SMILES CC(CC(N1C(=O)c2c(C1=O)cccc2)c1nn2c(n1)c1c(nc2)n(c(c1C)C)Cc1ccccn1)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 C28H27N7O2 MW 493.57 g/mol Purity >90% as per NMR
InChI
InChI=1S/C28H27N7O2/c1-16(2)13-22(35-27(36)20-10-5-6-11-21(20)28(35)37)24-31-26-23-17(3)18(4)33(14-19-9-7-8-12-29-19)25(23)30-15-34(26)32-24/h5-12,15-16,22H,13-14H2,1-4H3InChIKey
FRNMWXSGDKOZCB-UHFFFAOYSA-NSynonyms
929972-41-82(1(89dimethyl7(pyridin2ylmethyl)7Hpyrrolo(32e)(124)triazolo(15c)pyrimidin2yl)3methylbutyl)1Hisoindole13(2H)dione
2(1(89dimethyl7(pyridin2ylmethyl)7Hpyrrolo(32e)(124)triazolo(15c)pyrimidin2yl)3methylbutyl)isoindoline13dione
929972418
CC1=C(N(C2=C1C3=NC(=NN3C=N2)C(CC(C)C)N4C(=O)C5=CC=CC=C5C4=O)CC6=CC=CC=N6)C
InChI=1SC28H27N7O2c116(2)1322(3527(36)2010561121(20)28(35)37)2431262317(3)18(4)33(1419978122919)25(23)301534(26)3224h512151622H1314H214H3
MFCD09790602
ZINC000008993532
ZINC000008993533
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