Vitas-M small molecule compound
methyl 4-[(7H-purin-6-ylsulfanyl)methyl]benzoate
Catalog ID
STK922411
SMILES COC(=O)c1ccc(cc1)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 C14H12N4O2S MW 300.34 g/mol Purity >90% as per NMR
InChI
InChI=1S/C14H12N4O2S/c1-20-14(19)10-4-2-9(3-5-10)6-21-13-11-12(16-7-15-11)17-8-18-13/h2-5,7-8H,6H2,1H3,(H,15,16,17,18)InChIKey
JAVRHYFVZDKTHH-UHFFFAOYSA-NSynonyms
924825-41-2924825412
COC(=O)C1=CC=C(C=C1)CSC2=NC=NC3=C2NC=N3
COC(=O)c1ccc(cc1)CSc1ncnc2c1(nH)cn2
InChI=1SC14H12N4O2Sc12014(19)10429(3510)621131112(1671511)1781813h2578H6H21H3(H15161718)
METHYL4(((7HPURIN6YL)THIO)METHYL)BENZOATE
methyl4((7Hpurin6ylsulfanyl)methyl)benzoate
methyl4(7Hpurin6ylsulfanylmethyl)benzoate
METHYL4(PURIN6YLTHIOMETHYL)BENZOATE
MFCD09760711
ZINC000012139022
ZINC12139022
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