Vitas-M small molecule compound
5,6-dimethyl-2-(6-nitro-1,3-benzodioxol-5-yl)-2,3-dihydrothieno[2,3-d]pyrimidin-4(1H)-one
Catalog ID
STK378443
SMILES O=C1NC(Nc2c1c(C)c(s2)C)c1cc2OCOc2cc1[N+](=O)[O-]
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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 C15H13N3O5S MW 347.35 g/mol Purity >90% as per NMR
InChI
InChI=1S/C15H13N3O5S/c1-6-7(2)24-15-12(6)14(19)16-13(17-15)8-3-10-11(23-5-22-10)4-9(8)18(20)21/h3-4,13,17H,5H2,1-2H3,(H,16,19)InChIKey
BAFQZHWZASALAK-UHFFFAOYSA-NSynonyms
56DIMETHYL2(6NITRO(2HBENZO(D)13DIOXOLAN5YL))123TRIHYDROTHIOPHENO(23D)PYRIMIDIN4ONE
56DIMETHYL2(6NITRO13BENZODIOXOL5YL)23DIHYDRO1HTHIENO(23D)PYRIMIDIN4ONE
56dimethyl2(6nitro13benzodioxol5yl)23dihydrothieno(23d)pyrimidin4(1H)one
CC1=C(SC2=C1C(=O)NC(N2)C3=CC4=C(C=C3(N+)(=O)(O))OCO4)C
InChI=1SC15H13N3O5Sc167(2)241512(6)14(19)1613(1715)831011(2352210)49(8)18(20)21h341317H5H212H3(H1619)
MFCD02290142
O=C1NC(Nc2c1c(C)c(s2)C)c1cc2OCOc2cc1(N+)(=O)(O)
ZINC000004501930
ZINC000004501932
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