Vitas-M small molecule compound

2-amino-5-(2,4-diamino-6-oxo-1,6-dihydropyrimidin-5-yl)-6-(2,3-dihydro-1,4-benzodioxin-6-yl)-3,7-dihydro-4H-pyrrolo[2,3-d]pyrimidin-4-one

Catalog ID
STK786167
SMILES Nc1nc2[nH]c(c(c2c(=O)[nH]1)c1c(N)nc([nH]c1=O)N)c1ccc2c(c1)OCCO2

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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 C18H16N8O4 MW 408.38 g/mol Purity >90% as per NMR
InChI
InChI=1S/C18H16N8O4/c19-13-10(15(27)25-17(20)23-13)9-11-14(24-18(21)26-16(11)28)22-12(9)6-1-2-7-8(5-6)30-4-3-29-7/h1-2,5H,3-4H2,(H5,19,20,23,25,27)(H4,21,22,24,26,28)
InChIKey
SVMYGJAORAPPHT-UHFFFAOYSA-N
Synonyms

2amino5(24diamino6oxo16dihydropyrimidin5yl)6(23dihydro14benzodioxin6yl)37dihydro4Hpyrrolo(23d)pyrimidin4one
2amino5(26diamino4oxo1Hpyrimidin5yl)6(23dihydro14benzodioxin6yl)17dihydropyrrolo(23d)pyrimidin4one
C1COC2=C(O1)C=CC(=C2)C3=C(C4=C(N3)NC(=NC4=O)N)C5=C(NC(=NC5=O)N)N
InChI=1SC18H16N8O4c191310(15(27)2517(20)2313)91114(2418(21)2616(11)28)2212(9)61278(56)3043297h125H34H2(H51920232527)(H42122242628)
MFCD08142844
Nc1nc2(nH)c(c(c2c(=O)(nH)1)c1c(N)nc((nH)c1=O)N)c1ccc2c(c1)OCCO2
ZINC000012375217
ZINC12375217

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Available files

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