Vitas-M small molecule compound
(5Z)-1-(2,3-dichlorophenyl)-5-{4-[(5-nitropyridin-2-yl)oxy]benzylidene}-2-thioxodihydropyrimidine-4,6(1H,5H)-dione
Catalog ID
STK192819
SMILES O=C1NC(=S)N(C(=O)/C/1=C\c1ccc(cc1)Oc1ccc(cn1)[N+](=O)[O-])c1cccc(c1Cl)Cl
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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 C22H12Cl2N4O5S MW 515.33 g/mol Purity >90% as per NMR
InChI
InChI=1S/C22H12Cl2N4O5S/c23-16-2-1-3-17(19(16)24)27-21(30)15(20(29)26-22(27)34)10-12-4-7-14(8-5-12)33-18-9-6-13(11-25-18)28(31)32/h1-11H,(H,26,29,34)/b15-10-InChIKey
TUPNUSQQSPHGKI-GDNBJRDFSA-NSynonyms
(5Z)1(23dichlorophenyl)5((4(5nitropyridin2yl)oxyphenyl)methylidene)2sulfanylidene13diazinane46dione
(5Z)1(23DICHLOROPHENYL)5(4((5NITROPYRIDIN2YL)OXY)BENZYLIDENE)2THIOXODIHYDROPYRIMIDINE46(1H5H)DIONE
C1=CC(=C(C(=C1)Cl)Cl)N2C(=O)C(=CC3=CC=C(C=C3)OC4=NC=C(C=C4)(N+)(=O)(O))C(=O)NC2=S
InChI=1SC22H12Cl2N4O5Sc231621317(19(16)24)2721(30)15(20(29)2622(27)34)10124714(8512)33189613(112518)28(31)32h111H(H262934)b1510
MFCD04543062
O=C1NC(=S)N(C(=O)C1=Cc1ccc(cc1)Oc1ccc(cn1)(N+)(=O)(O))c1cccc(c1Cl)Cl
ZINC000100214342
ZINC100214342
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