Vitas-M small molecule compound

7-hexyl-1,3-dimethyl-8-(prop-2-en-1-ylamino)-3,7-dihydro-1H-purine-2,6-dione

Catalog ID
STK840654
SMILES CCCCCCn1c(NCC=C)nc2c1c(=O)n(C)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 C16H25N5O2 MW 319.41 g/mol Purity >90% as per NMR
InChI
InChI=1S/C16H25N5O2/c1-5-7-8-9-11-21-12-13(18-15(21)17-10-6-2)19(3)16(23)20(4)14(12)22/h6H,2,5,7-11H2,1,3-4H3,(H,17,18)
InChIKey
YGAJDOODJDJHQM-UHFFFAOYSA-N
Synonyms
371218-78-9
371218789
7hexyl13dimethyl8(prop2en1ylamino)37dihydro1Hpurine26dione
7HEXYL13DIMETHYL8(PROP2ENYLAMINO)137TRIHYDROPURINE26DIONE
7HEXYL13DIMETHYL8(PROP2ENYLAMINO)PURINE26DIONE
8(allylamino)7hexyl13dimethyl1Hpurine26(3H7H)dione
8(ALLYLAMINO)7HEXYL13DIMETHYLXANTHINE
CCCCCCN1C2=C(N=C1NCC=C)N(C(=O)N(C2=O)C)C
InChI=1SC16H25N5O2c1578911211213(1815(21)171062)19(3)16(23)20(4)14(12)22h6H25711H2134H3(H1718)
MFCD03010211
ZINC000012647922
ZINC12647922

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Available files

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