Vitas-M small molecule compound
ethyl 4-amino-2-{[2-(1-ethyl-2,5-dimethyl-1H-pyrrol-3-yl)-2-oxoethyl]sulfanyl}pyrimidine-5-carboxylate
Catalog ID
STK697425
SMILES CCOC(=O)c1cnc(nc1N)SCC(=O)c1cc(n(c1C)CC)C
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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 C17H22N4O3S MW 362.45 g/mol Purity >90% as per NMR
InChI
InChI=1S/C17H22N4O3S/c1-5-21-10(3)7-12(11(21)4)14(22)9-25-17-19-8-13(15(18)20-17)16(23)24-6-2/h7-8H,5-6,9H2,1-4H3,(H2,18,19,20)InChIKey
DBBHPCCUFINFAK-UHFFFAOYSA-NSynonyms
938013-16-2938013162
CCN1C(=CC(=C1C)C(=O)CSC2=NC=C(C(=N2)N)C(=O)OCC)C
ethyl4amino2((2(1ethyl25dimethyl1Hpyrrol3yl)2oxoethyl)sulfanyl)pyrimidine5carboxylate
ethyl4amino2((2(1ethyl25dimethyl1Hpyrrol3yl)2oxoethyl)thio)pyrimidine5carboxylate
ethyl4amino2(2(1ethyl25dimethylpyrrol3yl)2oxoethyl)sulfanylpyrimidine5carboxylate
InChI=1SC17H22N4O3Sc152110(3)712(11(21)4)14(22)9251719813(15(18)2017)16(23)2462h78H569H214H3(H2181920)
MFCD09156349
ZINC000010231522
ZINC10231522
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