Vitas-M small molecule compound
4-(5,6-dimethyl-4-oxo-1,2,3,4-tetrahydrothieno[2,3-d]pyrimidin-2-yl)-2-ethoxyphenyl 3-methyl-4-nitrobenzoate
Catalog ID
STK381415
SMILES CCOc1cc(ccc1OC(=O)c1ccc(c(c1)C)[N+](=O)[O-])C1NC(=O)c2c(N1)sc(c2C)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 C24H23N3O6S MW 481.53 g/mol Purity >90% as per NMR
InChI
InChI=1S/C24H23N3O6S/c1-5-32-19-11-15(21-25-22(28)20-13(3)14(4)34-23(20)26-21)7-9-18(19)33-24(29)16-6-8-17(27(30)31)12(2)10-16/h6-11,21,26H,5H2,1-4H3,(H,25,28)InChIKey
WZGULNMMYNMXHW-UHFFFAOYSA-NSynonyms
(4(56DIMETHYL4OXO23DIHYDRO1HTHIENO(23D)PYRIMIDIN2YL)2ETHOXYPHENYL)3METHYL4NITROBENZOATE
4(56DIMETHYL4OXO(123TRIHYDROTHIOPHENO(23D)PYRIMIDIN2YL))2ETHOXYPHENYL3METHYL4NITROBENZOATE
4(56dimethyl4oxo1234tetrahydrothieno(23d)pyrimidin2yl)2ethoxyphenyl3methyl4nitrobenzoate
CCOC1=C(C=CC(=C1)C2NC3=C(C(=C(S3)C)C)C(=O)N2)OC(=O)C4=CC(=C(C=C4)(N+)(=O)(O))C
CCOc1cc(ccc1OC(=O)c1ccc(c(c1)C)(N+)(=O)(O))C1NC(=O)c2c(N1)sc(c2C)C
InChI=1SC24H23N3O6Sc1532191115(212522(28)2013(3)14(4)3423(20)2621)7918(19)3324(29)166817(27(30)31)12(2)1016h6112126H5H214H3(H2528)
MFCD02604039
ZINC000008721973
ZINC000008721974
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