Vitas-M small molecule compound
5-(4-hydroxy-3-nitrobenzylidene)-2-thioxodihydropyrimidine-4,6(1H,5H)-dione
Catalog ID
STK094464
SMILES S=C1NC(=O)C(=Cc2ccc(c(c2)[N+](=O)[O-])O)C(=O)N1
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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 C11H7N3O5S MW 293.26 g/mol Purity >90% as per NMR
InChI
InChI=1S/C11H7N3O5S/c15-8-2-1-5(4-7(8)14(18)19)3-6-9(16)12-11(20)13-10(6)17/h1-4,15H,(H2,12,13,16,17,20)InChIKey
JKDXBXPULYPDTB-UHFFFAOYSA-NSynonyms
5((4HYDROXY3NITROPHENYL)METHYLENE)2THIOXO13DIHYDROPYRIMIDINE46DIONE
5((4HYDROXY3NITROPHENYL)METHYLIDENE)2SULFANYLIDENE13DIAZINANE46DIONE
5(4HYDROXY3NITROBENZYLIDENE)2THIOXODIHYDROPYRIMIDINE46(1H5H)DIONE
C1=CC(=C(C=C1C=C2C(=O)NC(=S)NC2=O)(N+)(=O)(O))O
InChI=1SC11H7N3O5Sc158215(47(8)14(18)19)369(16)1211(20)1310(6)17h1415H(H21213161720)
MFCD00838279
S=C1NC(=O)C(=Cc2ccc(c(c2)(N+)(=O)(O))O)C(=O)N1
STK094464
ZINC000019419585
ZINC19419585
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