Vitas-M small molecule compound
(5E)-1-tert-butyl-5-[(5-nitrothiophen-2-yl)methylidene]pyrimidine-2,4,6(1H,3H,5H)-trione
Catalog ID
STK763223
SMILES O=C1NC(=O)N(C(=O)/C/1=C/c1ccc(s1)[N+](=O)[O-])C(C)(C)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 C13H13N3O5S MW 323.33 g/mol Purity >90% as per NMR
InChI
InChI=1S/C13H13N3O5S/c1-13(2,3)15-11(18)8(10(17)14-12(15)19)6-7-4-5-9(22-7)16(20)21/h4-6H,1-3H3,(H,14,17,19)/b8-6+InChIKey
IIQYJSUPWQNWSP-SOFGYWHQSA-NSynonyms
346612-46-2(5E)1TERTBUTYL5((5NITRO2THIENYL)METHYLENE)246(1H3H5H)PYRIMIDINETRIONE
(5E)1TERTBUTYL5((5NITROTHIOPHEN2YL)METHYLIDENE)13DIAZINANE246TRIONE
(5E)1tertbutyl5((5nitrothiophen2yl)methylidene)pyrimidine246(1H3H5H)trione
246(1H3H5H)PYRIMIDINETRIONE1(11DIMETHYLETHYL)5((5NITRO2THIENYL)METHYLENE)
346612462
CC(C)(C)N1C(=O)C(=CC2=CC=C(S2)(N+)(=O)(O))C(=O)NC1=O
InChI=1SC13H13N3O5Sc113(23)1511(18)8(10(17)1412(15)19)67459(227)16(20)21h46H13H3(H141719)b86+
MFCD02647076
O=C1NC(=O)N(C(=O)C1=Cc1ccc(s1)(N+)(=O)(O))C(C)(C)C
ZINC000000086060
ZINC86060
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