Vitas-M small molecule compound

Catalog ID
STK920454
SMILES COc1cccc(c1)/C=N/n1c2nc3ccccc3nc2c2c1[nH]c(C)n(c2=O)CCC1=CCCCC1

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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 C29H29N6O2 MW 493.59 g/mol Purity >90% as per NMR
InChI
InChI=1S/C29H29N6O2/c1-19-31-27-25(29(36)34(19)16-15-20-9-4-3-5-10-20)26-28(33-24-14-7-6-13-23(24)32-26)35(27)30-18-21-11-8-12-22(17-21)37-2/h6-9,11-14,17-18H,3-5,10,15-16H2,1-2H3,(H,31,36)/b30-18+
InChIKey
SAYZXHZJRQIXCF-UXHLAJHPSA-N
Synonyms

COc1cccc(c1)C=Nn1c2nc3ccccc3nc2c2c1(nH)c(C)n(c2=O)CCC1=CCCCC1
MFCD18175777

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Available files

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