Vitas-M small molecule compound
4-(5,6-dimethyl-4-oxo-1,2,3,4-tetrahydrothieno[2,3-d]pyrimidin-2-yl)-2-methoxy-3-nitrophenyl acetate
Catalog ID
STK378480
SMILES COc1c(ccc(c1[N+](=O)[O-])C1NC(=O)c2c(N1)sc(c2C)C)OC(=O)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 C17H17N3O6S MW 391.40 g/mol Purity >90% as per NMR
InChI
InChI=1S/C17H17N3O6S/c1-7-8(2)27-17-12(7)16(22)18-15(19-17)10-5-6-11(26-9(3)21)14(25-4)13(10)20(23)24/h5-6,15,19H,1-4H3,(H,18,22)InChIKey
GBTFXNPYBWDWDM-UHFFFAOYSA-NSynonyms
(4(56DIMETHYL4OXO23DIHYDRO1HTHIENO(23D)PYRIMIDIN2YL)2METHOXY3NITROPHENYL)ACETATE
4(56DIMETHYL4OXO(123TRIHYDROTHIOPHENO(23D)PYRIMIDIN2YL))2METHOXY3NITROPHENYLACETATE
4(56dimethyl4oxo1234tetrahydrothieno(23d)pyrimidin2yl)2methoxy3nitrophenylacetate
CC1=C(SC2=C1C(=O)NC(N2)C3=C(C(=C(C=C3)OC(=O)C)OC)(N+)(=O)(O))C
COc1c(ccc(c1(N+)(=O)(O))C1NC(=O)c2c(N1)sc(c2C)C)OC(=O)C
InChI=1SC17H17N3O6Sc178(2)271712(7)16(22)1815(1917)105611(269(3)21)14(254)13(10)20(23)24h561519H14H3(H1822)
MFCD01786894
ZINC000004501987
ZINC000004501988
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