Vitas-M small molecule compound
2-{[9-(4-methylphenyl)-6-oxo-6,9-dihydro-1H-purin-8-yl]sulfanyl}-N-phenyl-N-(prop-2-en-1-yl)acetamide
Catalog ID
STK497235
SMILES C=CCN(c1ccccc1)C(=O)CSc1nc2c(n1c1ccc(cc1)C)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 C23H21N5O2S MW 431.52 g/mol Purity >90% as per NMR
InChI
InChI=1S/C23H21N5O2S/c1-3-13-27(17-7-5-4-6-8-17)19(29)14-31-23-26-20-21(24-15-25-22(20)30)28(23)18-11-9-16(2)10-12-18/h3-12,15H,1,13-14H2,2H3,(H,24,25,30)InChIKey
HUCGVLJKTNWNCI-UHFFFAOYSA-NSynonyms
2((9(4methylphenyl)6oxo3Hpurin8yl)sulfanyl)NphenylNprop2enylacetamide
2((9(4methylphenyl)6oxo69dihydro1Hpurin8yl)sulfanyl)NphenylN(prop2en1yl)acetamide
2(9(4METHYLPHENYL)6OXOHYDROPURIN8YLTHIO)NPHENYLNPROP2ENYLACETAMIDE
C=CCN(c1ccccc1)C(=O)CSc1nc2c(n1c1ccc(cc1)C)nc(nH)c2=O
CC1=CC=C(C=C1)N2C3=C(C(=O)N=CN3)N=C2SCC(=O)N(CC=C)C4=CC=CC=C4
InChI=1SC23H21N5O2Sc131327(177546817)19(29)143123262021(24152522(20)30)28(23)1811916(2)101218h31215H11314H22H3(H242530)
MFCD11854666
ZINC000012462108
ZINC12462108
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