Vitas-M small molecule compound
ethyl 4-({[(9-methyl-6-oxo-6,9-dihydro-1H-purin-8-yl)sulfanyl]acetyl}amino)benzoate
Catalog ID
STK497020
SMILES CCOC(=O)c1ccc(cc1)NC(=O)CSc1nc2c(n1C)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 C17H17N5O4S MW 387.42 g/mol Purity >90% as per NMR
InChI
InChI=1S/C17H17N5O4S/c1-3-26-16(25)10-4-6-11(7-5-10)20-12(23)8-27-17-21-13-14(22(17)2)18-9-19-15(13)24/h4-7,9H,3,8H2,1-2H3,(H,20,23)(H,18,19,24)InChIKey
WRDZCBOZERZYAN-UHFFFAOYSA-NSynonyms
CCOC(=O)C1=CC=C(C=C1)NC(=O)CSC2=NC3=C(N2C)NC=NC3=O
CCOC(=O)c1ccc(cc1)NC(=O)CSc1nc2c(n1C)nc(nH)c2=O
ethyl4((((9methyl6oxo69dihydro1Hpurin8yl)sulfanyl)acetyl)amino)benzoate
ethyl4((2((9methyl6oxo3Hpurin8yl)sulfanyl)acetyl)amino)benzoate
ETHYL4(2(9METHYL6OXOHYDROPURIN8YLTHIO)ACETYLAMINO)BENZOATE
InChI=1SC17H17N5O4Sc132616(25)104611(7510)2012(23)82717211314(22(17)2)1891915(13)24h479H38H212H3(H2023)(H181924)
MFCD09788420
ZINC000012411052
ZINC12411052
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