Vitas-M small molecule compound
2-({2-chloro-4-[(E)-2-(2,6-dihydroxy-5-nitropyrimidin-4-yl)ethenyl]-6-methoxyphenoxy}methyl)benzonitrile
Catalog ID
STK602598
SMILES COc1cc(/C=C/c2nc(O)nc(c2[N+](=O)[O-])O)cc(c1OCc1ccccc1C#N)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 C21H15ClN4O6 MW 454.83 g/mol Purity >90% as per NMR
InChI
InChI=1S/C21H15ClN4O6/c1-31-17-9-12(6-7-16-18(26(29)30)20(27)25-21(28)24-16)8-15(22)19(17)32-11-14-5-3-2-4-13(14)10-23/h2-9H,11H2,1H3,(H2,24,25,27,28)/b7-6+InChIKey
GLSIOIMMHRFNPP-VOTSOKGWSA-NSynonyms
708216-39-12((2chloro4((E)2(26dihydroxy5nitropyrimidin4yl)ethenyl)6methoxyphenoxy)methyl)benzonitrile
2((2CHLORO6METHOXY4((E)2(5NITRO24DIOXO1HPYRIMIDIN6YL)ETHENYL)PHENOXY)METHYL)BENZONITRILE
708216391
COC1=C(C(=CC(=C1)C=CC2=C(C(=O)NC(=O)N2)(N+)(=O)(O))Cl)OCC3=CC=CC=C3C#N
COc1cc(C=Cc2nc(O)nc(c2(N+)(=O)(O))O)cc(c1OCc1ccccc1C#N)Cl
InChI=1SC21H15ClN4O6c13117912(671618(26(29)30)20(27)2521(28)2416)815(22)19(17)321114532413(14)1023h29H11H21H3(H224252728)b76+
MFCD08734689
ZINC000008769969
ZINC8769969
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