Vitas-M small molecule compound
ethyl 4-amino-2-({2-[(3-cyano-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)amino]-2-oxoethyl}sulfanyl)pyrimidine-5-carboxylate
Catalog ID
STL303088
SMILES CCOC(=O)c1cnc(nc1N)SCC(=O)Nc1sc2c(c1C#N)CCCC2
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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 C18H19N5O3S2 MW 417.51 g/mol Purity >90% as per NMR
InChI
InChI=1S/C18H19N5O3S2/c1-2-26-17(25)12-8-21-18(23-15(12)20)27-9-14(24)22-16-11(7-19)10-5-3-4-6-13(10)28-16/h8H,2-6,9H2,1H3,(H,22,24)(H2,20,21,23)InChIKey
XDUGSIVCAJXARU-UHFFFAOYSA-NSynonyms
CCOC(=O)C1=CN=C(N=C1N)SCC(=O)NC2=C(C3=C(S2)CCCC3)C#N
ethyl4amino2((2((3cyano4567tetrahydro1benzothiophen2yl)amino)2oxoethyl)sulfanyl)pyrimidine5carboxylate
ethyl4amino2(2((3cyano4567tetrahydro1benzothiophen2yl)amino)2oxoethyl)sulfanylpyrimidine5carboxylate
InChI=1SC18H19N5O3S2c122617(25)1282118(2315(12)20)27914(24)221611(719)10534613(10)2816h8H269H21H3(H2224)(H2202123)
MFCD02572896
ZINC000004757569
ZINC04757569
ZINC4757569
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