Vitas-M small molecule compound

N-benzyl-2-[(6-hydroxy-9H-purin-2-yl)sulfanyl]acetamide

Catalog ID
STK947563
SMILES O=C(NCc1ccccc1)CSc1nc(O)c2c(n1)[nH]cn2

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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 C14H13N5O2S MW 315.36 g/mol Purity >90% as per NMR
InChI
InChI=1S/C14H13N5O2S/c20-10(15-6-9-4-2-1-3-5-9)7-22-14-18-12-11(13(21)19-14)16-8-17-12/h1-5,8H,6-7H2,(H,15,20)(H2,16,17,18,19,21)
InChIKey
NUWVOIQVTCGJLX-UHFFFAOYSA-N
Synonyms

C1=CC=C(C=C1)CNC(=O)CSC2=NC(=O)C3=C(N2)N=CN3
InChI=1SC14H13N5O2Sc2010(1569421359)72214181211(13(21)1914)1681712h158H67H2(H1520)(H21617181921)
MFCD06623691
Nbenzyl2((6hydroxy9Hpurin2yl)sulfanyl)acetamide
NBENZYL2((6OXO37DIHYDROPURIN2YL)SULFANYL)ACETAMIDE
O=C(NCc1ccccc1)CSc1nc(O)c2c(n1)(nH)cn2
ZINC000010003372
ZINC10003372

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Available files

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