Vitas-M small molecule compound

7-cyclopropyl-3-[(2-hydroxyethoxy)methyl]-5,6,7,8-tetrahydro[1,3,5]triazino[1,2-a]purin-10(3H)-one

Catalog ID
STK654011
SMILES OCCOCn1cnc2c1nc1NCN(Cn1c2=O)C1CC1

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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 C13H18N6O3 MW 306.32 g/mol Purity >90% as per NMR
InChI
InChI=1S/C13H18N6O3/c20-3-4-22-8-18-5-14-10-11(18)16-13-15-6-17(9-1-2-9)7-19(13)12(10)21/h5,9,20H,1-4,6-8H2,(H,15,16)
InChIKey
LYBGRBKKLXIPTE-UHFFFAOYSA-N
Synonyms
1144475-86-4
1144475864
7cyclopropyl3((2hydroxyethoxy)methyl)5678tetrahydro(135)triazino(12a)purin10(3H)one
7cyclopropyl3(2hydroxyethoxymethyl)68dihydro4H(135)triazino(12a)purin10one
C1CC1N2CN=C3NC4=C(C(=O)N3C2)N=CN4COCCO
InChI=1SC13H18N6O3c2034228185141011(18)161315617(9129)719(13)12(10)21h5920H1468H2(H1516)
MFCD12215558
ZINC000101627189
ZINC101627189
ZINC31809994

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Available files

Download the SDF, MOL, 3D structure and SDS documents from Vitas-M.