Vitas-M small molecule compound

7-{3-[(2E)-azepan-2-ylideneamino]propyl}-1,3-dimethyl-8-(morpholin-4-yl)-3,7-dihydro-1H-purine-2,6-dione

Catalog ID
STK677837
SMILES Cn1c(=O)n(C)c2c(c1=O)n(CCC/N=C/1\CCCCCN1)c(n2)N1CCOCC1

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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 C20H31N7O3 MW 417.51 g/mol Purity >90% as per NMR
InChI
InChI=1S/C20H31N7O3/c1-24-17-16(18(28)25(2)20(24)29)27(19(23-17)26-11-13-30-14-12-26)10-6-9-22-15-7-4-3-5-8-21-15/h3-14H2,1-2H3,(H,21,22)
InChIKey
GKOUOKFPGRUDDS-UHFFFAOYSA-N
Synonyms

13dimethyl8morpholin4yl7(3(3456tetrahydro2Hazepin7ylamino)propyl)purine26dione
7(3((2E)azepan2ylideneamino)propyl)13dimethyl8(morpholin4yl)37dihydro1Hpurine26dione
Cn1c(=O)n(C)c2c(c1=O)n(CCCN=C1CCCCCN1)c(n2)N1CCOCC1
CN1C2=C(C(=O)N(C1=O)C)N(C(=N2)N3CCOCC3)CCCNC4=NCCCCC4
InChI=1SC20H31N7O3c1241716(18(28)25(2)20(24)29)27(19(2317)26111330141226)10692215743582115h314H212H3(H2122)
MFCD03035973
ZINC000004167797
ZINC4167797

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Available files

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