Vitas-M small molecule compound
6-[(E)-2-{4-[(4-bromobenzyl)oxy]-3-methoxyphenyl}ethenyl]-5-nitropyrimidine-2,4(1H,3H)-dione
Catalog ID
STK287074
SMILES COc1cc(ccc1OCc1ccc(cc1)Br)/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 C20H16BrN3O6 MW 474.27 g/mol Purity >90% as per NMR
InChI
InChI=1S/C20H16BrN3O6/c1-29-17-10-12(4-8-15-18(24(27)28)19(25)23-20(26)22-15)5-9-16(17)30-11-13-2-6-14(21)7-3-13/h2-10H,11H2,1H3,(H2,22,23,25,26)/b8-4+InChIKey
CXZIQLNSBYCSBE-XBXARRHUSA-NSynonyms
6((E)2(4((4BROMOBENZYL)OXY)3METHOXYPHENYL)ETHENYL)5NITROPYRIMIDINE24(1H3H)DIONE
6((E)2(4((4BROMOPHENYL)METHOXY)3METHOXYPHENYL)ETHENYL)5NITRO1HPYRIMIDINE24DIONE
COC1=C(C=CC(=C1)C=CC2=C(C(=O)NC(=O)N2)(N+)(=O)(O))OCC3=CC=C(C=C3)Br
COc1cc(ccc1OCc1ccc(cc1)Br)C=Cc1(nH)c(=O)(nH)c(=O)c1(N+)(=O)(O)
InChI=1SC20H16BrN3O6c129171012(481518(24(27)28)19(25)2320(26)2215)5916(17)3011132614(21)7313h210H11H21H3(H222232526)b84+
MFCD04389994
ZINC000009234726
ZINC9234726
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