Vitas-M small molecule compound
6-[(E)-2-(2-butoxynaphthalen-1-yl)ethenyl]-5-nitropyrimidine-2,4(1H,3H)-dione
Catalog ID
STK287105
SMILES CCCCOc1ccc2c(c1/C=C/c1[nH]c(=O)[nH]c(=O)c1[N+](=O)[O-])cccc2
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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 C20H19N3O5 MW 381.39 g/mol Purity >90% as per NMR
InChI
InChI=1S/C20H19N3O5/c1-2-3-12-28-17-11-8-13-6-4-5-7-14(13)15(17)9-10-16-18(23(26)27)19(24)22-20(25)21-16/h4-11H,2-3,12H2,1H3,(H2,21,22,24,25)/b10-9+InChIKey
XDXTURAGOILRRC-MDZDMXLPSA-NSynonyms
6((E)2(2BUTOXYNAPHTHALEN1YL)ETHENYL)5NITRO1HPYRIMIDINE24DIONE
6((E)2(2butoxynaphthalen1yl)ethenyl)5nitropyrimidine24(1H3H)dione
CCCCOC1=C(C2=CC=CC=C2C=C1)C=CC3=C(C(=O)NC(=O)N3)(N+)(=O)(O)
CCCCOc1ccc2c(c1C=Cc1(nH)c(=O)(nH)c(=O)c1(N+)(=O)(O))cccc2
InChI=1SC20H19N3O5c12312281711813645714(13)15(17)9101618(23(26)27)19(24)2220(25)2116h411H2312H21H3(H221222425)b109+
MFCD04392190
ZINC5041440
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