Vitas-M small molecule compound

ethyl 4-[(7H-purin-6-ylsulfanyl)acetyl]piperazine-1-carboxylate

Catalog ID
STK624297
SMILES CCOC(=O)N1CCN(CC1)C(=O)CSc1ncnc2c1[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 C14H18N6O3S MW 350.40 g/mol Purity >90% as per NMR
InChI
InChI=1S/C14H18N6O3S/c1-2-23-14(22)20-5-3-19(4-6-20)10(21)7-24-13-11-12(16-8-15-11)17-9-18-13/h8-9H,2-7H2,1H3,(H,15,16,17,18)
InChIKey
OKUYIPGVVSORLV-UHFFFAOYSA-N
Synonyms
929866-60-4
929866604
CCOC(=O)N1CCN(CC1)C(=O)CSc1ncnc2c1(nH)cn2
CCOC(=O)N1CCN(CC1)C(=O)CSc1ncnc2c1nc(nH)2
CCOC(=O)N1CCN(CC1)C(=O)CSC2=NC=NC3=C2NC=N3
ethyl4((7Hpurin6ylsulfanyl)acetyl)piperazine1carboxylate
ethyl4(2((9Hpurin6yl)thio)acetyl)piperazine1carboxylate
ethyl4(2(7Hpurin6ylsulfanyl)acetyl)piperazine1carboxylate
InChI=1SC14H18N6O3Sc122314(22)205319(4620)10(21)724131112(1681511)1791813h89H27H21H3(H15161718)
MFCD09790309
ZINC000013551689
ZINC13551689

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Available files

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