Vitas-M small molecule compound
2-{(Z)-2-[4-(benzyloxy)-3-ethoxyphenyl]ethenyl}-6-hydroxy-5-nitropyrimidin-4(3H)-one
Catalog ID
STL358698
SMILES CCOc1cc(ccc1OCc1ccccc1)/C=C\c1nc(O)c(c(=O)[nH]1)[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 C21H19N3O6 MW 409.40 g/mol Purity >90% as per NMR
InChI
InChI=1S/C21H19N3O6/c1-2-29-17-12-14(8-10-16(17)30-13-15-6-4-3-5-7-15)9-11-18-22-20(25)19(24(27)28)21(26)23-18/h3-12H,2,13H2,1H3,(H2,22,23,25,26)/b11-9-InChIKey
LRPPXDOFZGENPZ-LUAWRHEFSA-NSynonyms
797778-20-22((Z)2(3ETHOXY4PHENYLMETHOXYPHENYL)ETHENYL)4HYDROXY5NITRO1HPYRIMIDIN6ONE
2((Z)2(4(benzyloxy)3ethoxyphenyl)ethenyl)6hydroxy5nitropyrimidin4(3H)one
797778202
CCOC1=C(C=CC(=C1)C=CC2=NC(=C(C(=O)N2)(N+)(=O)(O))O)OCC3=CC=CC=C3
CCOc1cc(ccc1OCc1ccccc1)C=Cc1nc(O)c(c(=O)(nH)1)(N+)(=O)(O)
InChI=1SC21H19N3O6c1229171214(81016(17)3013156435715)911182220(25)19(24(27)28)21(26)2318h312H213H21H3(H222232526)b119
MFCD06010533
ZINC000009010302
ZINC09010302
ZINC9010302
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