Vitas-M small molecule compound
6-{(E)-2-[3-methoxy-4-(3-methylbutoxy)phenyl]ethenyl}-5-nitropyrimidine-2,4-diol
Catalog ID
STL431313
SMILES COc1cc(ccc1OCCC(C)C)/C=C/c1nc(O)nc(c1[N+](=O)[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 C18H21N3O6 MW 375.38 g/mol Purity >90% as per NMR
InChI
InChI=1S/C18H21N3O6/c1-11(2)8-9-27-14-7-5-12(10-15(14)26-3)4-6-13-16(21(24)25)17(22)20-18(23)19-13/h4-7,10-11H,8-9H2,1-3H3,(H2,19,20,22,23)/b6-4+InChIKey
XLGVHOHUSLLTHV-GQCTYLIASA-NSynonyms
6((E)2(3METHOXY4(3METHYLBUTOXY)PHENYL)ETHENYL)5NITRO1HPYRIMIDINE24DIONE
6((E)2(3methoxy4(3methylbutoxy)phenyl)ethenyl)5nitropyrimidine24diol
6(2(3METHOXY4(3METHYLBUTOXY)PHENYL)VINYL)5NITRO24PYRIMIDINEDIOL
CC(C)CCOC1=C(C=C(C=C1)C=CC2=C(C(=O)NC(=O)N2)(N+)(=O)(O))OC
COc1cc(ccc1OCCC(C)C)C=Cc1nc(O)nc(c1(N+)(=O)(O))O
InChI=1SC18H21N3O6c111(2)8927147512(1015(14)263)461316(21(24)25)17(22)2018(23)1913h471011H89H213H3(H219202223)b64+
MFCD01785526
ZINC000004557583
ZINC4557583
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