Vitas-M small molecule compound

9-[4-(hydroxymethyl)cyclohex-3-en-1-yl]-2-{[(4-methoxyphenyl)(diphenyl)methyl]amino}-1,9-dihydro-6H-purin-6-one

Catalog ID
STK012466
SMILES OCC1=CCC(CC1)n1cnc2c1nc([nH]c2=O)NC(c1ccc(cc1)OC)(c1ccccc1)c1ccccc1

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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 C32H31N5O3 MW 533.63 g/mol Purity >90% as per NMR
InChI
InChI=1S/C32H31N5O3/c1-40-27-18-14-25(15-19-27)32(23-8-4-2-5-9-23,24-10-6-3-7-11-24)36-31-34-29-28(30(39)35-31)33-21-37(29)26-16-12-22(20-38)13-17-26/h2-12,14-15,18-19,21,26,38H,13,16-17,20H2,1H3,(H2,34,35,36,39)
InChIKey
MXQZWWLERZJCEE-UHFFFAOYSA-N
Synonyms

9(4(HYDROXYMETHYL)CYCLOHEX3EN1YL)2(((4METHOXYPHENYL)(DIPHENYL)METHYL)AMINO)19DIHYDRO6HPURIN6ONE
9(4(HYDROXYMETHYL)CYCLOHEX3EN1YL)2(((4METHOXYPHENYL)DIPHENYLMETHYL)AMINO)3HPURIN6ONE
COC1=CC=C(C=C1)C(C2=CC=CC=C2)(C3=CC=CC=C3)NC4=NC(=O)C5=C(N4)N(C=N5)C6CCC(=CC6)CO
InChI=1SC32H31N5O3c14027181425(151927)32(23842592324106371124)3631342928(30(39)3531)332137(29)26161222(2038)131726h21214151819212638H13161720H21H3(H234353639)
MFCD01929548
OCC1=CCC(CC1)n1cnc2c1nc((nH)c2=O)NC(c1ccc(cc1)OC)(c1ccccc1)c1ccccc1
STK012466
ZINC000098048369
ZINC000098048370

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Available files

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