Vitas-M small molecule compound

1-(2-{(2E)-2-[(6-amino-1,3-dimethyl-2,4-dioxo-1,2,3,4-tetrahydropyrimidin-5-yl)methylidene]hydrazinyl}-2-oxoethyl)pyridinium

Catalog ID
STK806328
SMILES O=C(C[n+]1ccccc1)N/N=C/c1c(N)n(C)c(=O)n(c1=O)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 C14H17N6O3 MW 317.33 g/mol Purity >90% as per NMR
InChI
InChI=1S/C14H16N6O3/c1-18-12(15)10(13(22)19(2)14(18)23)8-16-17-11(21)9-20-6-4-3-5-7-20/h3-8H,9H2,1-2H3,(H2-,15,16,17,21,22)/p+1
InChIKey
VMTVHKMHTMVUGW-UHFFFAOYSA-O
Synonyms

(E)1(2(2((6amino13dimethyl24dioxo1234tetrahydropyrimidin5yl)methylene)hydrazinyl)2oxoethyl)pyridin1iumchloride
1(2((2E)2((6amino13dimethyl24dioxo1234tetrahydropyrimidin5yl)methylidene)hydrazinyl)2oxoethyl)pyridinium
CN1C(=C(C(=O)N(C1=O)C)C=NNC(=O)C(N+)2=CC=CC=C2)N
InChI=1SC14H16N6O3c11812(15)10(13(22)19(2)14(18)23)8161711(21)9206435720h38H9H212H3(H21516172122)p+1
N((4AMINO13DIMETHYL26DIOXOPYRIMIDIN5YL)METHYLIDENEAMINO)2PYRIDIN1IUM1YLACETAMIDE
N((E)(4AMINO13DIMETHYL26DIOXOPYRIMIDIN5YL)METHYLIDENEAMINO)2PYRIDIN1IUM1YLACETAMIDE
N((Z)(4AMINO13DIMETHYL26DIOXOPYRIMIDIN5YL)METHYLIDENEAMINO)2PYRIDIN1IUM1YLACETAMIDE
O=C(C(n+)1ccccc1)NN=Cc1c(N)n(C)c(=O)n(c1=O)C
O=C(C(n+)1ccccc1)NN=Cc1c(N)n(C)c(=O)n(c1=O)C(Cl)
ZINC000001770631
ZINC01770631
ZINC04464215
ZINC1770631

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Available files

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