Vitas-M small molecule compound
ethyl 2-({2-[(4-amino-6-oxo-1,6-dihydropyrimidin-2-yl)sulfanyl]propanoyl}amino)-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate
Catalog ID
STK246764
SMILES CCOC(=O)c1c(NC(=O)C(Sc2nc(N)cc(=O)[nH]2)C)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 C18H22N4O4S2 MW 422.53 g/mol Purity >90% as per NMR
InChI
InChI=1S/C18H22N4O4S2/c1-3-26-17(25)14-10-6-4-5-7-11(10)28-16(14)22-15(24)9(2)27-18-20-12(19)8-13(23)21-18/h8-9H,3-7H2,1-2H3,(H,22,24)(H3,19,20,21,23)InChIKey
FONNDTZGGSYGAR-UHFFFAOYSA-NSynonyms
CCOC(=O)C1=C(SC2=C1CCCC2)NC(=O)C(C)SC3=NC(=O)C=C(N3)N
CCOC(=O)c1c(NC(=O)C(Sc2nc(N)cc(=O)(nH)2)C)sc2c1CCCC2
ethyl2((2((4amino6oxo16dihydropyrimidin2yl)sulfanyl)propanoyl)amino)4567tetrahydro1benzothiophene3carboxylate
ethyl2(2((6amino4oxo1Hpyrimidin2yl)sulfanyl)propanoylamino)4567tetrahydro1benzothiophene3carboxylate
InChI=1SC18H22N4O4S2c132617(25)1410645711(10)2816(14)2215(24)9(2)27182012(19)813(23)2118h89H37H212H3(H2224)(H319202123)
MFCD07081944
ZINC000009667807
ZINC000009667808
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