Vitas-M small molecule compound
ethyl 3-(2-hydroxy-4,5-dihydro-3H-1-benzazepin-3-yl)-5-methyl-4-oxo-3,4-dihydrothieno[2,3-d]pyrimidine-6-carboxylate
Catalog ID
STK941691
SMILES CCOC(=O)c1sc2c(c1C)c(=O)n(cn2)C1CCc2c(N=C1O)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 C20H19N3O4S MW 397.45 g/mol Purity >90% as per NMR
InChI
InChI=1S/C20H19N3O4S/c1-3-27-20(26)16-11(2)15-18(28-16)21-10-23(19(15)25)14-9-8-12-6-4-5-7-13(12)22-17(14)24/h4-7,10,14H,3,8-9H2,1-2H3,(H,22,24)InChIKey
WIJVMLKXVIZMSB-UHFFFAOYSA-NSynonyms
1214848-90-41214848904
CCOC(=O)C1=C(C2=C(S1)N=CN(C2=O)C3CCC4=CC=CC=C4NC3=O)C
ethyl3(2hydroxy45dihydro3H1benzazepin3yl)5methyl4oxo34dihydrothieno(23d)pyrimidine6carboxylate
ethyl5methyl4oxo3(2oxo1345tetrahydro1benzazepin3yl)thieno(23d)pyrimidine6carboxylate
InChI=1SC20H19N3O4Sc132720(26)1611(2)1518(2816)211023(19(15)25)149812645713(12)2217(14)24h471014H389H212H3(H2224)
MFCD18179882
ZINC000036359385
ZINC000036359386
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