Vitas-M small molecule compound
6-[(E)-2-{4-[(2-chlorobenzyl)oxy]-3-methoxyphenyl}ethenyl]-5-nitropyrimidine-2,4(1H,3H)-dione
Catalog ID
STK742889
SMILES COc1cc(ccc1OCc1ccccc1Cl)/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 C20H16ClN3O6 MW 429.82 g/mol Purity >90% as per NMR
InChI
InChI=1S/C20H16ClN3O6/c1-29-17-10-12(6-8-15-18(24(27)28)19(25)23-20(26)22-15)7-9-16(17)30-11-13-4-2-3-5-14(13)21/h2-10H,11H2,1H3,(H2,22,23,25,26)/b8-6+InChIKey
FSHFPFCUUWYLTP-SOFGYWHQSA-NSynonyms
6((E)2(4((2chlorobenzyl)oxy)3methoxyphenyl)ethenyl)5nitropyrimidine24(1H3H)dione
6((E)2(4((2CHLOROPHENYL)METHOXY)3METHOXYPHENYL)ETHENYL)5NITRO1HPYRIMIDINE24DIONE
6(2(4((2CHLOROBENZYL)OXY)3METHOXYPHENYL)VINYL)5NITRO24(1H3H)PYRIMIDINEDIONE
COC1=C(C=CC(=C1)C=CC2=C(C(=O)NC(=O)N2)(N+)(=O)(O))OCC3=CC=CC=C3Cl
COc1cc(ccc1OCc1ccccc1Cl)C=Cc1(nH)c(=O)(nH)c(=O)c1(N+)(=O)(O)
InChI=1SC20H16ClN3O6c129171012(681518(24(27)28)19(25)2320(26)2215)7916(17)301113423514(13)21h210H11H21H3(H222232526)b86+
MFCD02916826
ZINC000008445173
ZINC8445173
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