Vitas-M small molecule compound
[8-(benzylamino)-1,3-dimethyl-2,6-dioxo-1,2,3,6-tetrahydro-7H-purin-9-ium-7-yl]acetate
Catalog ID
STK558882
SMILES [O-]C(=O)Cn1c(NCc2ccccc2)[nH+]c2c1c(=O)n(c(=O)n2C)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 C16H17N5O4 MW 343.34 g/mol Purity >90% as per NMR
InChI
InChI=1S/C16H17N5O4/c1-19-13-12(14(24)20(2)16(19)25)21(9-11(22)23)15(18-13)17-8-10-6-4-3-5-7-10/h3-7H,8-9H2,1-2H3,(H,17,18)(H,22,23)InChIKey
AIVYFKOILMDFPM-UHFFFAOYSA-NSynonyms
261156-67-6(8(benzylamino)13dimethyl26dioxo1236tetrahydro7Hpurin9ium7yl)acetate
(O)C(=O)Cn1c(NCc2ccccc2)(nH+)c2c1c(=O)n(c(=O)n2C)C
2(8(BENZYLAMINO)13DIMETHYL26DIOXOPURIN7YL)ACETICACID
261156676
CN1C2=C(C(=O)N(C1=O)C)N(C(=N2)NCC3=CC=CC=C3)CC(=O)O
InChI=1SC16H17N5O4c1191312(14(24)20(2)16(19)25)21(911(22)23)15(1813)178106435710h37H89H212H3(H1718)(H2223)
MFCD03417436
ZINC000000300728
ZINC300728
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