Vitas-M small molecule compound
2-{(E)-2-[4-(benzyloxy)-3-methoxy-5-(prop-2-en-1-yl)phenyl]ethenyl}-5-nitropyrimidine-4,6-diol
Catalog ID
STK616355
SMILES C=CCc1cc(/C=C/c2nc(O)c(c(n2)O)[N+](=O)[O-])cc(c1OCc1ccccc1)OC
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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 C23H21N3O6 MW 435.44 g/mol Purity >90% as per NMR
InChI
InChI=1S/C23H21N3O6/c1-3-7-17-12-16(10-11-19-24-22(27)20(26(29)30)23(28)25-19)13-18(31-2)21(17)32-14-15-8-5-4-6-9-15/h3-6,8-13H,1,7,14H2,2H3,(H2,24,25,27,28)/b11-10+InChIKey
VZYRYUNATSMSCB-ZHACJKMWSA-NSynonyms
842956-25-62((1E)2(3METHOXY4(PHENYLMETHOXY)5PROP2ENYLPHENYL)VINYL)6HYDROXY5NITRO3HYDROPYRIMIDIN4ONE
2((E)2(4(benzyloxy)3methoxy5(prop2en1yl)phenyl)ethenyl)5nitropyrimidine46diol
4HYDROXY2((E)2(3METHOXY4PHENYLMETHOXY5PROP2ENYLPHENYL)ETHENYL)5NITRO1HPYRIMIDIN6ONE
C=CCc1cc(C=Cc2nc(O)c(c(n2)O)(N+)(=O)(O))cc(c1OCc1ccccc1)OC
COC1=CC(=CC(=C1OCC2=CC=CC=C2)CC=C)C=CC3=NC(=C(C(=O)N3)(N+)(=O)(O))O
InChI=1SC23H21N3O6c137171216(1011192422(27)20(26(29)30)23(28)2519)1318(312)21(17)3214158546915h36813H1714H22H3(H224252728)b1110+
MFCD08735405
ZINC000009010328
ZINC9010328
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