Vitas-M small molecule compound
(5E)-5-{3,5-dichloro-4-[(4-nitrobenzyl)oxy]benzylidene}-1-(4-methoxyphenyl)-2-thioxodihydropyrimidine-4,6(1H,5H)-dione
Catalog ID
STK197650
SMILES COc1ccc(cc1)N1C(=S)NC(=O)/C(=C\c2cc(Cl)c(c(c2)Cl)OCc2ccc(cc2)[N+](=O)[O-])/C1=O
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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 C25H17Cl2N3O6S MW 558.40 g/mol Purity >90% as per NMR
InChI
InChI=1S/C25H17Cl2N3O6S/c1-35-18-8-6-16(7-9-18)29-24(32)19(23(31)28-25(29)37)10-15-11-20(26)22(21(27)12-15)36-13-14-2-4-17(5-3-14)30(33)34/h2-12H,13H2,1H3,(H,28,31,37)/b19-10+InChIKey
QTAYRUJBBHITHP-VXLYETTFSA-NSynonyms
(5E)5((35dichloro4((4nitrophenyl)methoxy)phenyl)methylidene)1(4methoxyphenyl)2sulfanylidene13diazinane46dione
(5E)5(35DICHLORO4((4NITROBENZYL)OXY)BENZYLIDENE)1(4METHOXYPHENYL)2THIOXODIHYDROPYRIMIDINE46(1H5H)DIONE
COC1=CC=C(C=C1)N2C(=O)C(=CC3=CC(=C(C(=C3)Cl)OCC4=CC=C(C=C4)(N+)(=O)(O))Cl)C(=O)NC2=S
COc1ccc(cc1)N1C(=S)NC(=O)C(=Cc2cc(Cl)c(c(c2)Cl)OCc2ccc(cc2)(N+)(=O)(O))C1=O
InChI=1SC25H17Cl2N3O6Sc135188616(7918)2924(32)19(23(31)2825(29)37)10151120(26)22(21(27)1215)3613142417(5314)30(33)34h212H13H21H3(H283137)b1910+
MFCD02193619
ZINC000100215983
ZINC100215983
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