Vitas-M small molecule compound
ethyl 4-amino-2-{[2-(2,3-dihydro-1,4-benzodioxin-6-ylamino)-2-oxoethyl]sulfanyl}pyrimidine-5-carboxylate
Catalog ID
STL354682
SMILES CCOC(=O)c1cnc(nc1N)SCC(=O)Nc1ccc2c(c1)OCCO2
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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 C17H18N4O5S MW 390.42 g/mol Purity >90% as per NMR
InChI
InChI=1S/C17H18N4O5S/c1-2-24-16(23)11-8-19-17(21-15(11)18)27-9-14(22)20-10-3-4-12-13(7-10)26-6-5-25-12/h3-4,7-8H,2,5-6,9H2,1H3,(H,20,22)(H2,18,19,21)InChIKey
PVNCXEDSKKQFJL-UHFFFAOYSA-NSynonyms
4AMINO2((23DIHYDROBENZO(14)DIOXIN6YLCARBAMOYL)METHYLSULFANYL)PYRIMIDINE5CARBOXYLICACIDETHYLESTER
CCOC(=O)C1=CN=C(N=C1N)SCC(=O)NC2=CC3=C(C=C2)OCCO3
ethyl4amino2((2(23dihydro14benzodioxin6ylamino)2oxoethyl)sulfanyl)pyrimidine5carboxylate
ETHYL4AMINO2(2(23DIHYDRO14BENZODIOXIN6YLAMINO)2OXOETHYL)SULFANYLPYRIMIDINE5CARBOXYLATE
InChI=1SC17H18N4O5Sc122416(23)1181917(2115(11)18)27914(22)2010341213(710)26652512h3478H2569H21H3(H2022)(H2181921)
MFCD02745350
ZINC000004093527
ZINC04093527
ZINC4093527
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