Vitas-M small molecule compound

7-[3-(4-ethylphenoxy)-2-hydroxypropyl]-3-methyl-8-[(2E)-2-(4-propoxybenzylidene)hydrazinyl]-3,7-dihydro-1H-purine-2,6-dione

Catalog ID
STK529860
SMILES CCCOc1ccc(cc1)/C=N/Nc1nc2c(n1CC(COc1ccc(cc1)CC)O)c(=O)[nH]c(=O)n2C

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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 C27H32N6O5 MW 520.59 g/mol Purity >90% as per NMR
InChI
InChI=1S/C27H32N6O5/c1-4-14-37-21-12-8-19(9-13-21)15-28-31-26-29-24-23(25(35)30-27(36)32(24)3)33(26)16-20(34)17-38-22-10-6-18(5-2)7-11-22/h6-13,15,20,34H,4-5,14,16-17H2,1-3H3,(H,29,31)(H,30,35,36)/b28-15+
InChIKey
WLWPZDZWDICHBI-RWPZCVJISA-N
Synonyms
304873-46-9
(E)7(3(4ethylphenoxy)2hydroxypropyl)3methyl8(2(4propoxybenzylidene)hydrazinyl)1Hpurine26(3H7H)dione
304873469
7(3(4ETHYLPHENOXY)2HYDROXYPROPYL)3METHYL8((2E)2((4PROPOXYPHENYL)METHYLIDENE)HYDRAZINYL)PURINE26DIONE
7(3(4ethylphenoxy)2hydroxypropyl)3methyl8((2E)2(4propoxybenzylidene)hydrazinyl)37dihydro1Hpurine26dione
CCCOC1=CC=C(C=C1)C=NNC2=NC3=C(N2CC(COC4=CC=C(C=C4)CC)O)C(=O)NC(=O)N3C
CCCOc1ccc(cc1)C=NNc1nc2c(n1CC(COc1ccc(cc1)CC)O)c(=O)(nH)c(=O)n2C
InChI=1SC27H32N6O5c1414372112819(91321)15283126292423(25(35)3027(36)32(24)3)33(26)1620(34)17382210618(52)71122h613152034H45141617H213H3(H2931)(H303536)b2815+
MFCD01553249
ZINC000006162436
ZINC000006162437

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Available files

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