Vitas-M small molecule compound
ethyl 4-amino-2-[(2-{[3-(methylsulfanyl)phenyl]amino}-2-oxoethyl)sulfanyl]pyrimidine-5-carboxylate
Catalog ID
STL354618
SMILES CCOC(=O)c1cnc(nc1N)SCC(=O)Nc1cccc(c1)SC
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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 C16H18N4O3S2 MW 378.48 g/mol Purity >90% as per NMR
InChI
InChI=1S/C16H18N4O3S2/c1-3-23-15(22)12-8-18-16(20-14(12)17)25-9-13(21)19-10-5-4-6-11(7-10)24-2/h4-8H,3,9H2,1-2H3,(H,19,21)(H2,17,18,20)InChIKey
YGKKEBFIVCWQCV-UHFFFAOYSA-NSynonyms
CCOC(=O)C1=CN=C(N=C1N)SCC(=O)NC2=CC(=CC=C2)SC
ethyl4amino2((2((3(methylsulfanyl)phenyl)amino)2oxoethyl)sulfanyl)pyrimidine5carboxylate
ETHYL4AMINO2(2(3METHYLSULFANYLANILINO)2OXOETHYL)SULFANYLPYRIMIDINE5CARBOXYLATE
InChI=1SC16H18N4O3S2c132315(22)1281816(2014(12)17)25913(21)191054611(710)242h48H39H212H3(H1921)(H2171820)
MFCD06631243
ZINC000004820584
ZINC04820584
ZINC4820584
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