Vitas-M small molecule compound
6-hydroxy-2-{(E)-2-[1-(4-methylbenzyl)-1H-indol-3-yl]ethenyl}-5-nitropyrimidin-4(3H)-one
Catalog ID
STL381266
SMILES Cc1ccc(cc1)Cn1cc(c2c1cccc2)/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 C22H18N4O4 MW 402.41 g/mol Purity >90% as per NMR
InChI
InChI=1S/C22H18N4O4/c1-14-6-8-15(9-7-14)12-25-13-16(17-4-2-3-5-18(17)25)10-11-19-23-21(27)20(26(29)30)22(28)24-19/h2-11,13H,12H2,1H3,(H2,23,24,27,28)/b11-10+InChIKey
OPRCLVAGJZMTTC-ZHACJKMWSA-NSynonyms
797778-64-4(E)6hydroxy2(2(1(4methylbenzyl)1Hindol3yl)vinyl)5nitropyrimidin4(3H)one
6hydroxy2((E)2(1(4methylbenzyl)1Hindol3yl)ethenyl)5nitropyrimidin4(3H)one
797778644
Cc1ccc(cc1)Cn1cc(c2c1cccc2)C=Cc1nc(O)c(c(=O)(nH)1)(N+)(=O)(O)
MFCD06010553
ZINC000009010322
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