Vitas-M small molecule compound
6-[(E)-2-(3-bromo-4,5-dimethoxyphenyl)ethenyl]-5-nitropyrimidine-2,4(1H,3H)-dione
Catalog ID
STK285229
SMILES COc1c(Br)cc(cc1OC)/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 C14H12BrN3O6 MW 398.17 g/mol Purity >90% as per NMR
InChI
InChI=1S/C14H12BrN3O6/c1-23-10-6-7(5-8(15)12(10)24-2)3-4-9-11(18(21)22)13(19)17-14(20)16-9/h3-6H,1-2H3,(H2,16,17,19,20)/b4-3+InChIKey
CRYUKTOYWWHZJZ-ONEGZZNKSA-NSynonyms
6((E)2(3BROMO45DIMETHOXYPHENYL)ETHENYL)5NITRO1HPYRIMIDINE24DIONE
6((E)2(3BROMO45DIMETHOXYPHENYL)ETHENYL)5NITROPYRIMIDINE24(1H3H)DIONE
COC1=C(C(=CC(=C1)C=CC2=C(C(=O)NC(=O)N2)(N+)(=O)(O))Br)OC
COc1c(Br)cc(cc1OC)C=Cc1(nH)c(=O)(nH)c(=O)c1(N+)(=O)(O)
InChI=1SC14H12BrN3O6c1231067(58(15)12(10)242)34911(18(21)22)13(19)1714(20)169h36H12H3(H216171920)b43+
MFCD04277734
ZINC000004694359
ZINC4694359
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