Vitas-M small molecule compound

methyl N-[3-(3,5-dihydroxy-1,2,4-triazin-6-yl)propanoyl]-beta-alaninate

Catalog ID
STL316726
SMILES COC(=O)CCNC(=O)CCc1nnc(nc1O)O

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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 C10H14N4O5 MW 270.25 g/mol Purity >90% as per NMR
InChI
InChI=1S/C10H14N4O5/c1-19-8(16)4-5-11-7(15)3-2-6-9(17)12-10(18)14-13-6/h2-5H2,1H3,(H,11,15)(H2,12,14,17,18)
InChIKey
AASRBZALOKMBRL-UHFFFAOYSA-N
Synonyms
1441887-37-1
1441887371
COC(=O)CCNC(=O)CCC1=NNC(=O)NC1=O
InChI=1SC10H14N4O5c1198(16)45117(15)3269(17)1210(18)14136h25H21H3(H1115)(H212141718)
methyl3(3(35dioxo2H124triazin6yl)propanoylamino)propanoate
methylN(3(35dihydroxy124triazin6yl)propanoyl)betaalaninate
MFCD28027986
ZINC000095477979
ZINC95477979

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Available files

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