Vitas-M small molecule compound
ethyl 2-{[(1,3-dimethyl-2,6-dioxo-1,2,3,6-tetrahydro-7H-purin-7-yl)acetyl]amino}-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate
Catalog ID
STK043702
SMILES CCOC(=O)c1c(NC(=O)Cn2cnc3c2c(=O)n(C)c(=O)n3C)sc2c1CCCC2
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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 C20H23N5O5S MW 445.50 g/mol Purity >90% as per NMR
InChI
InChI=1S/C20H23N5O5S/c1-4-30-19(28)14-11-7-5-6-8-12(11)31-17(14)22-13(26)9-25-10-21-16-15(25)18(27)24(3)20(29)23(16)2/h10H,4-9H2,1-3H3,(H,22,26)InChIKey
HRLQHVXMCTVHFJ-UHFFFAOYSA-NSynonyms
379697-11-7379697117
CCOC(=O)C1=C(SC2=C1CCCC2)NC(=O)CN3C=NC4=C3C(=O)N(C(=O)N4C)C
CCOC(=O)c1c(NC(=O)Cn2cnc3c2c(=O)n(C)c(=O)n3C)sc2c1CCCC2
ethyl2(((13dimethyl26dioxo1236tetrahydro7Hpurin7yl)acetyl)amino)4567tetrahydro1benzothiophene3carboxylate
ethyl2((2(13dimethyl26dioxopurin7yl)acetyl)amino)4567tetrahydro1benzothiophene3carboxylate
InChI=1SC20H23N5O5Sc143019(28)1411756812(11)3117(14)2213(26)92510211615(25)18(27)24(3)20(29)23(16)2h10H49H213H3(H2226)
MFCD03119556
STK043702
ZINC000000917427
ZINC00917427
ZINC917427
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