Vitas-M small molecule compound

N-(2-methoxybenzyl)-2-(7H-purin-6-ylsulfanyl)propanamide

Catalog ID
STK631249
SMILES COc1ccccc1CNC(=O)C(Sc1ncnc2c1[nH]cn2)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 C16H17N5O2S MW 343.41 g/mol Purity >90% as per NMR
InChI
InChI=1S/C16H17N5O2S/c1-10(24-16-13-14(19-8-18-13)20-9-21-16)15(22)17-7-11-5-3-4-6-12(11)23-2/h3-6,8-10H,7H2,1-2H3,(H,17,22)(H,18,19,20,21)
InChIKey
DFBAWBCJCOTQHQ-UHFFFAOYSA-N
Synonyms
929962-34-5
2((9Hpurin6yl)thio)N(2methoxybenzyl)propanamide
929962345
CC(C(=O)NCC1=CC=CC=C1OC)SC2=NC=NC3=C2NC=N3
COc1ccccc1CNC(=O)C(Sc1ncnc2c1(nH)cn2)C
COc1ccccc1CNC(=O)C(Sc1ncnc2c1nc(nH)2)C
InChI=1SC16H17N5O2Sc110(24161314(1981813)2092116)15(22)17711534612(11)232h36810H7H212H3(H1722)(H18192021)
MFCD09796977
N((2methoxyphenyl)methyl)2(7Hpurin6ylsulfanyl)propanamide
N(2methoxybenzyl)2(7Hpurin6ylsulfanyl)propanamide
ZINC000008992897
ZINC000008992898

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Available files

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