Vitas-M small molecule compound
(5E)-1-(3-methylphenyl)-5-[(5-nitrothiophen-2-yl)methylidene]pyrimidine-2,4,6(1H,3H,5H)-trione
Catalog ID
STK763814
SMILES Cc1cccc(c1)N1C(=O)NC(=O)/C(=C\c2ccc(s2)[N+](=O)[O-])/C1=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 C16H11N3O5S MW 357.35 g/mol Purity >90% as per NMR
InChI
InChI=1S/C16H11N3O5S/c1-9-3-2-4-10(7-9)18-15(21)12(14(20)17-16(18)22)8-11-5-6-13(25-11)19(23)24/h2-8H,1H3,(H,17,20,22)/b12-8+InChIKey
XKIBKZPVRBDVRU-XYOKQWHBSA-NSynonyms
(5E)1(3METHYLPHENYL)5((5NITROTHIOPHEN2YL)METHYLIDENE)13DIAZINANE246TRIONE
(5E)1(3methylphenyl)5((5nitrothiophen2yl)methylidene)pyrimidine246(1H3H5H)trione
(Z)5((5nitrothiophen2yl)methylene)1(mtolyl)pyrimidine246(1H3H5H)trione
CC1=CC(=CC=C1)N2C(=O)C(=CC3=CC=C(S3)(N+)(=O)(O))C(=O)NC2=O
Cc1cccc(c1)N1C(=O)NC(=O)C(=Cc2ccc(s2)(N+)(=O)(O))C1=O
InChI=1SC16H11N3O5Sc1932410(79)1815(21)12(14(20)1716(18)22)8115613(2511)19(23)24h28H1H3(H172022)b128+
MFCD01828027
ZINC000001192811
ZINC1192811
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