Vitas-M small molecule compound

2-{1-[8,9-dimethyl-7-(2-methylpropyl)-7H-pyrrolo[3,2-e][1,2,4]triazolo[1,5-c]pyrimidin-2-yl]-2-phenylethyl}-1H-isoindole-1,3(2H)-dione

Catalog ID
STK945661
SMILES CC(Cn1c(C)c(c2c1ncn1c2nc(n1)C(N1C(=O)c2c(C1=O)cccc2)Cc1ccccc1)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 C29H28N6O2 MW 492.58 g/mol Purity >90% as per NMR
InChI
InChI=1S/C29H28N6O2/c1-17(2)15-33-19(4)18(3)24-26(33)30-16-34-27(24)31-25(32-34)23(14-20-10-6-5-7-11-20)35-28(36)21-12-8-9-13-22(21)29(35)37/h5-13,16-17,23H,14-15H2,1-4H3
InChIKey
RJXXXQBRKNANAG-UHFFFAOYSA-N
Synonyms

2(1(89dimethyl7(2methylpropyl)7Hpyrrolo(32e)(124)triazolo(15c)pyrimidin2yl)2phenylethyl)1Hisoindole13(2H)dione
CC1=C(N(C2=C1C3=NC(=NN3C=N2)C(CC4=CC=CC=C4)N5C(=O)C6=CC=CC=C6C5=O)CC(C)C)C
InChI=1SC29H28N6O2c117(2)153319(4)18(3)2426(33)30163427(24)3125(3234)23(1420106571120)3528(36)2112891322(21)29(35)37h513161723H1415H214H3
MFCD18180676
ZINC000021801502
ZINC000021801505

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Available files

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