Vitas-M small molecule compound

2-{1-[8,9-dimethyl-7-(pyridin-4-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
STK618589
SMILES CC(CC(N1C(=O)c2c(C1=O)cccc2)c1nn2c(n1)c1c(nc2)n(c(c1C)C)Cc1ccncc1)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)20-7-5-6-8-21(20)28(35)37)24-31-26-23-17(3)18(4)33(14-19-9-11-29-12-10-19)25(23)30-15-34(26)32-24/h5-12,15-16,22H,13-14H2,1-4H3
InChIKey
HOUXFUJOBOPBBQ-UHFFFAOYSA-N
Synonyms
921090-23-5
2(1(89dimethyl7(pyridin4ylmethyl)7Hpyrrolo(32e)(124)triazolo(15c)pyrimidin2yl)3methylbutyl)1Hisoindole13(2H)dione
2(1(89dimethyl7(pyridin4ylmethyl)7Hpyrrolo(32e)(124)triazolo(15c)pyrimidin2yl)3methylbutyl)isoindoline13dione
921090235
CC1=C(N(C2=C1C3=NC(=NN3C=N2)C(CC(C)C)N4C(=O)C5=CC=CC=C5C4=O)CC6=CC=NC=C6)C
InChI=1SC28H27N7O2c116(2)1322(3527(36)20756821(20)28(35)37)2431262317(3)18(4)33(141991129121019)25(23)301534(26)3224h512151622H1314H214H3
MFCD08745360
ZINC000009061195
ZINC000009061196

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Available files

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