Vitas-M small molecule compound
N-(2-ethylphenyl)-2-[(6-oxo-9-phenyl-6,9-dihydro-1H-purin-8-yl)sulfanyl]acetamide
Catalog ID
STK410331
SMILES CCc1ccccc1NC(=O)CSc1nc2c(n1c1ccccc1)nc[nH]c2=O
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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 C21H19N5O2S MW 405.48 g/mol Purity >90% as per NMR
InChI
InChI=1S/C21H19N5O2S/c1-2-14-8-6-7-11-16(14)24-17(27)12-29-21-25-18-19(22-13-23-20(18)28)26(21)15-9-4-3-5-10-15/h3-11,13H,2,12H2,1H3,(H,24,27)(H,22,23,28)InChIKey
GQDOMOAJMLADHF-UHFFFAOYSA-NSynonyms
CCC1=CC=CC=C1NC(=O)CSC2=NC3=C(N2C4=CC=CC=C4)NC=NC3=O
CCc1ccccc1NC(=O)CSc1nc2c(n1c1ccccc1)nc(nH)c2=O
InChI=1SC21H19N5O2Sc12148671116(14)2417(27)122921251819(22132320(18)28)26(21)1594351015h31113H212H21H3(H2427)(H222328)
MFCD09779870
N(2ethylphenyl)2((6oxo9phenyl3Hpurin8yl)sulfanyl)acetamide
N(2ethylphenyl)2((6oxo9phenyl69dihydro1Hpurin8yl)sulfanyl)acetamide
ZINC000020213573
ZINC20213573
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