Vitas-M small molecule compound
(5E)-1-(4-methylphenyl)-5-[(5-nitrothiophen-2-yl)methylidene]-2-sulfanylpyrimidine-4,6(1H,5H)-dione
Catalog ID
STL150647
SMILES Cc1ccc(cc1)N1C(=NC(=O)/C(=C\c2ccc(s2)[N+](=O)[O-])/C1=O)S
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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 C16H11N3O4S2 MW 373.41 g/mol Purity >90% as per NMR
InChI
InChI=1S/C16H11N3O4S2/c1-9-2-4-10(5-3-9)18-15(21)12(14(20)17-16(18)24)8-11-6-7-13(25-11)19(22)23/h2-8H,1H3,(H,17,20,24)/b12-8+InChIKey
VBXASWUMDTVHOY-XYOKQWHBSA-NSynonyms
(5E)1(4METHYLPHENYL)5((5NITROTHIOPHEN2YL)METHYLIDENE)2SULFANYLIDENE13DIAZINANE46DIONE
(5E)1(4methylphenyl)5((5nitrothiophen2yl)methylidene)2sulfanylpyrimidine46(1H5H)dione
CC1=CC=C(C=C1)N2C(=O)C(=CC3=CC=C(S3)(N+)(=O)(O))C(=O)NC2=S
Cc1ccc(cc1)N1C(=NC(=O)C(=Cc2ccc(s2)(N+)(=O)(O))C1=O)S
InChI=1SC16H11N3O4S2c192410(539)1815(21)12(14(20)1716(18)24)8116713(2511)19(22)23h28H1H3(H172024)b128+
MFCD03801719
ZINC000002820564
ZINC2820564
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