Vitas-M small molecule compound
5-{[(3,4-dinitrophenyl)amino]methylidene}-2-thioxodihydropyrimidine-4,6(1H,5H)-dione
Catalog ID
STL295229
SMILES S=C1NC(=O)C(=CNc2ccc(c(c2)[N+](=O)[O-])[N+](=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 C11H7N5O6S MW 337.27 g/mol Purity >90% as per NMR
InChI
InChI=1S/C11H7N5O6S/c17-9-6(10(18)14-11(23)13-9)4-12-5-1-2-7(15(19)20)8(3-5)16(21)22/h1-4,12H,(H2,13,14,17,18,23)InChIKey
VGBAYPQTSXQOMP-UHFFFAOYSA-NSynonyms
5(((34DINITROPHENYL)AMINO)METHYLENE)2THIOXO13DIHYDROPYRIMIDINE46DIONE
5(((34dinitrophenyl)amino)methylidene)2thioxodihydropyrimidine46(1H5H)dione
5((34DINITROANILINO)METHYLIDENE)2SULFANYLIDENE13DIAZINANE46DIONE
C1=CC(=C(C=C1NC=C2C(=O)NC(=S)NC2=O)(N+)(=O)(O))(N+)(=O)(O)
InChI=1SC11H7N5O6Sc1796(10(18)1411(23)139)4125127(15(19)20)8(35)16(21)22h1412H(H21314171823)
MFCD00697174
S=C1NC(=O)C(=CNc2ccc(c(c2)(N+)(=O)(O))(N+)(=O)(O))C(=O)N1
ZINC000016385547
ZINC16385547
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