Vitas-M small molecule compound
2-{4-[(E)-2-(2,6-dihydroxy-5-nitropyrimidin-4-yl)ethenyl]-2-ethoxyphenoxy}-N-[3-(methylsulfanyl)phenyl]acetamide
Catalog ID
STK612759
SMILES CCOc1cc(ccc1OCC(=O)Nc1cccc(c1)SC)/C=C/c1nc(O)nc(c1[N+](=O)[O-])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 C23H22N4O7S MW 498.52 g/mol Purity >90% as per NMR
InChI
InChI=1S/C23H22N4O7S/c1-3-33-19-11-14(7-9-17-21(27(31)32)22(29)26-23(30)25-17)8-10-18(19)34-13-20(28)24-15-5-4-6-16(12-15)35-2/h4-12H,3,13H2,1-2H3,(H,24,28)(H2,25,26,29,30)/b9-7+InChIKey
CZSAAATVJCUHAV-VQHVLOKHSA-NSynonyms
717893-56-62(2ETHOXY4((E)2(5NITRO24DIOXO1HPYRIMIDIN6YL)ETHENYL)PHENOXY)N(3METHYLSULFANYLPHENYL)ACETAMIDE
2(4((E)2(26dihydroxy5nitropyrimidin4yl)ethenyl)2ethoxyphenoxy)N(3(methylsulfanyl)phenyl)acetamide
717893566
CCOC1=C(C=CC(=C1)C=CC2=C(C(=O)NC(=O)N2)(N+)(=O)(O))OCC(=O)NC3=CC(=CC=C3)SC
CCOc1cc(ccc1OCC(=O)Nc1cccc(c1)SC)C=Cc1nc(O)nc(c1(N+)(=O)(O))O
InChI=1SC23H22N4O7Sc1333191114(791721(27(31)32)22(29)2623(30)2517)81018(19)341320(28)241554616(1215)352h412H313H212H3(H2428)(H225262930)b97+
MFCD08735041
ZINC000009234643
ZINC9234643
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