Vitas-M small molecule compound

N-9H-purin-6-ylvaline

Catalog ID
STL373150
SMILES CC(C(C(=O)O)Nc1ncnc2c1nc[nH]2)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 C10H13N5O2 MW 235.25 g/mol Purity >90% as per NMR
InChI
InChI=1S/C10H13N5O2/c1-5(2)6(10(16)17)15-9-7-8(12-3-11-7)13-4-14-9/h3-6H,1-2H3,(H,16,17)(H2,11,12,13,14,15)
InChIKey
NYRSRNGSMXWKQV-UHFFFAOYSA-N
Synonyms
6636-97-1
(S)2((9Hpurin6yl)amino)3methylbutanoicacid
3METHYL2(7HPURIN6YLAMINO)BUTANOICACID
6636971
CC((C@@H)(C(=O)O)Nc1ncnc2c1nc(nH)2)C
CC(C(C(=O)O)Nc1ncnc2c1nc(nH)2)C
CC(C)C(C(=O)O)NC1=NC=NC2=C1NC=N2
InChI=1SC10H13N5O2c15(2)6(10(16)17)15978(123117)134149h36H12H3(H1617)(H21112131415)
MFCD28142968
N(9HPURIN6YL)VALINE
N9Hpurin6ylvaline
ZINC000001683951
ZINC000006754487

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Available files

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