Vitas-M small molecule compound
6-[(Z)-2-{3-ethoxy-4-[(2-fluorobenzyl)oxy]phenyl}ethenyl]-5-nitropyrimidine-2,4(1H,3H)-dione
Catalog ID
STK287086
SMILES CCOc1cc(ccc1OCc1ccccc1F)/C=C\c1[nH]c(=O)[nH]c(=O)c1[N+](=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 C21H18FN3O6 MW 427.39 g/mol Purity >90% as per NMR
InChI
InChI=1S/C21H18FN3O6/c1-2-30-18-11-13(7-9-16-19(25(28)29)20(26)24-21(27)23-16)8-10-17(18)31-12-14-5-3-4-6-15(14)22/h3-11H,2,12H2,1H3,(H2,23,24,26,27)/b9-7-InChIKey
IXWXROPKLXCRBQ-CLFYSBASSA-NSynonyms
6((1Z)2(3ETHOXY4((2FLUOROPHENYL)METHOXY)PHENYL)VINYL)5NITRO13DIHYDROPYRIMIDINE24DIONE
6((Z)2(3ethoxy4((2fluorobenzyl)oxy)phenyl)ethenyl)5nitropyrimidine24(1H3H)dione
6((Z)2(3ETHOXY4((2FLUOROPHENYL)METHOXY)PHENYL)ETHENYL)5NITRO1HPYRIMIDINE24DIONE
CCOC1=C(C=CC(=C1)C=CC2=C(C(=O)NC(=O)N2)(N+)(=O)(O))OCC3=CC=CC=C3F
CCOc1cc(ccc1OCc1ccccc1F)C=Cc1(nH)c(=O)(nH)c(=O)c1(N+)(=O)(O)
InChI=1SC21H18FN3O6c1230181113(791619(25(28)29)20(26)2421(27)2316)81017(18)311214534615(14)22h311H212H21H3(H223242627)b97
MFCD04403237
ZINC000030840513
ZINC30840513
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