Vitas-M small molecule compound
5,5'-[(3-nitrophenyl)methanediyl]bis(1,3-dimethyl-2-thioxodihydropyrimidine-4,6(1H,5H)-dione)
Catalog ID
STK187350
SMILES O=C1N(C)C(=S)N(C(=O)C1C(C1C(=O)N(C)C(=S)N(C1=O)C)c1cccc(c1)[N+](=O)[O-])C
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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 C19H19N5O6S2 MW 477.52 g/mol Purity >90% as per NMR
InChI
InChI=1S/C19H19N5O6S2/c1-20-14(25)12(15(26)21(2)18(20)31)11(9-6-5-7-10(8-9)24(29)30)13-16(27)22(3)19(32)23(4)17(13)28/h5-8,11-13H,1-4H3InChIKey
LLBRQAMIQPXEJH-UHFFFAOYSA-NSynonyms
5((13dimethyl46dioxo2sulfanylidene13diazinan5yl)(3nitrophenyl)methyl)13dimethyl2sulfanylidene13diazinane46dione
55((3NITROPHENYL)METHANEDIYL)BIS(13DIMETHYL2THIOXODIHYDROPYRIMIDINE46(1H5H)DIONE)
CN1C(=O)C(C(=O)N(C1=S)C)C(C2C(=O)N(C(=S)N(C2=O)C)C)C3=CC(=CC=C3)(N+)(=O)(O)
InChI=1SC19H19N5O6S2c12014(25)12(15(26)21(2)18(20)31)11(965710(89)24(29)30)1316(27)22(3)19(32)23(4)17(13)28h581113H14H3
MFCD03167282
O=C1N(C)C(=S)N(C(=O)C1C(C1C(=O)N(C)C(=S)N(C1=O)C)c1cccc(c1)(N+)(=O)(O))C
ZINC000009311493
ZINC09311493
ZINC9311493
Check stock
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Check stock on Vitas-MAvailable files
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