Vitas-M small molecule compound
ethyl 5-methyl-2-(4-nitrophenyl)-4-oxo-3,4-dihydrothieno[3,4-d]pyrimidine-7-carboxylate
Catalog ID
STK533129
SMILES CCOC(=O)c1sc(c2c1nc([nH]c2=O)c1ccc(cc1)[N+](=O)[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 C16H13N3O5S MW 359.36 g/mol Purity >90% as per NMR
InChI
InChI=1S/C16H13N3O5S/c1-3-24-16(21)13-12-11(8(2)25-13)15(20)18-14(17-12)9-4-6-10(7-5-9)19(22)23/h4-7H,3H2,1-2H3,(H,17,18,20)InChIKey
HDAXHMXNFJIUTE-UHFFFAOYSA-NSynonyms
CCOC(=O)C1=C2C(=C(S1)C)C(=O)N=C(N2)C3=CC=C(C=C3)(N+)(=O)(O)
CCOC(=O)c1sc(c2c1nc((nH)c2=O)c1ccc(cc1)(N+)(=O)(O))C
ETHYL5METHYL2(4NITROPHENYL)4OXO1HTHIENO(34D)PYRIMIDINE7CARBOXYLATE
ethyl5methyl2(4nitrophenyl)4oxo34dihydrothieno(34d)pyrimidine7carboxylate
InChI=1SC16H13N3O5Sc132416(21)131211(8(2)2513)15(20)1814(1712)94610(759)19(22)23h47H3H212H3(H171820)
MFCD02989566
ZINC000009041088
ZINC09041088
ZINC9041088
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