Vitas-M small molecule compound

7-[(2E)-but-2-en-1-yl]-1-(3-hydroxypropyl)-3,9-dimethyl-1,4-dihydro[1,2,4]triazino[3,4-f]purine-6,8(7H,9H)-dione

Catalog ID
STK853869
SMILES OCCCN1N=C(C)Cn2c1nc1c2c(=O)n(c(=O)n1C)C/C=C/C

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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 C16H22N6O3 MW 346.39 g/mol Purity >90% as per NMR
InChI
InChI=1S/C16H22N6O3/c1-4-5-7-20-14(24)12-13(19(3)16(20)25)17-15-21(12)10-11(2)18-22(15)8-6-9-23/h4-5,23H,6-10H2,1-3H3/b5-4+
InChIKey
NVOYMDUZCDXRRF-SNAWJCMRSA-N
Synonyms
919027-59-1
(E)7(but2en1yl)1(3hydroxypropyl)39dimethyl79dihydro(124)triazino(34f)purine68(1H4H)dione
7((2E)but2en1yl)1(3hydroxypropyl)39dimethyl14dihydro(124)triazino(34f)purine68(7H9H)dione
7((E)but2enyl)1(3hydroxypropyl)39dimethyl4Hpurino(87c)(124)triazine68dione
919027591
CC=CCN1C(=O)C2=C(N=C3N2CC(=NN3CCCO)C)N(C1=O)C
InChI=1SC16H22N6O3c14572014(24)1213(19(3)16(20)25)171521(12)1011(2)1822(15)86923h4523H610H213H3b54+
MFCD08542678
OCCCN1N=C(C)Cn2c1nc1c2c(=O)n(c(=O)n1C)CC=CC
ZINC000009060244
ZINC09060244
ZINC9060244

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Available files

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