Vitas-M small molecule compound
(5E)-5-[(5-nitrothiophen-2-yl)methylidene]-1-phenyl-2-sulfanylpyrimidine-4,6(1H,5H)-dione
Catalog ID
STL045958
SMILES O=C1N=C(S)N(C(=O)/C/1=C/c1ccc(s1)[N+](=O)[O-])c1ccccc1
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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 C15H9N3O4S2 MW 359.39 g/mol Purity >90% as per NMR
InChI
InChI=1S/C15H9N3O4S2/c19-13-11(8-10-6-7-12(24-10)18(21)22)14(20)17(15(23)16-13)9-4-2-1-3-5-9/h1-8H,(H,16,19,23)/b11-8+InChIKey
VYFLSDOIBJEZJP-DHZHZOJOSA-NSynonyms
(5E)5((5NITROTHIOPHEN2YL)METHYLIDENE)1PHENYL2SULFANYLIDENE13DIAZINANE46DIONE
(5E)5((5nitrothiophen2yl)methylidene)1phenyl2sulfanylpyrimidine46(1H5H)dione
C1=CC=C(C=C1)N2C(=O)C(=CC3=CC=C(S3)(N+)(=O)(O))C(=O)NC2=S
InChI=1SC15H9N3O4S2c191311(8106712(2410)18(21)22)14(20)17(15(23)1613)9421359h18H(H161923)b118+
MFCD03805735
O=C1N=C(S)N(C(=O)C1=Cc1ccc(s1)(N+)(=O)(O))c1ccccc1
ZINC000009043861
ZINC9043861
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