Vitas-M small molecule compound
5-{4-[(1-methyl-1H-imidazol-2-yl)sulfanyl]-3-nitrobenzylidene}-2-thioxodihydropyrimidine-4,6(1H,5H)-dione
Catalog ID
STK755863
SMILES S=C1NC(=O)C(=Cc2ccc(c(c2)[N+](=O)[O-])Sc2nccn2C)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 C15H11N5O4S2 MW 389.42 g/mol Purity >90% as per NMR
InChI
InChI=1S/C15H11N5O4S2/c1-19-5-4-16-15(19)26-11-3-2-8(7-10(11)20(23)24)6-9-12(21)17-14(25)18-13(9)22/h2-7H,1H3,(H2,17,18,21,22,25)InChIKey
FYFSHFLVINWXKW-UHFFFAOYSA-NSynonyms
5((4(1METHYLIMIDAZOL2YL)SULFANYL3NITROPHENYL)METHYLIDENE)2SULFANYLIDENE13DIAZINANE46DIONE
5((4(1METHYLIMIDAZOL2YLTHIO)3NITROPHENYL)METHYLENE)2THIOXO13DIHYDROPYRIMIDINE46DIONE
5(4((1methyl1Himidazol2yl)sulfanyl)3nitrobenzylidene)2thioxodihydropyrimidine46(1H5H)dione
CN1C=CN=C1SC2=C(C=C(C=C2)C=C3C(=O)NC(=S)NC3=O)(N+)(=O)(O)
InChI=1SC15H11N5O4S2c119541615(19)2611328(710(11)20(23)24)6912(21)1714(25)1813(9)22h27H1H3(H21718212225)
MFCD01113844
S=C1NC(=O)C(=Cc2ccc(c(c2)(N+)(=O)(O))Sc2nccn2C)C(=O)N1
ZINC000001661661
ZINC1661661
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