Vitas-M small molecule compound
2-[(E)-2-{2-[(4-chlorobenzyl)oxy]-3-methoxyphenyl}ethenyl]-6-hydroxy-5-nitropyrimidin-4(3H)-one
Catalog ID
STL358739
SMILES COc1cccc(c1OCc1ccc(cc1)Cl)/C=C/c1nc(O)c(c(=O)[nH]1)[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/c1-29-15-4-2-3-13(18(15)30-11-12-5-8-14(21)9-6-12)7-10-16-22-19(25)17(24(27)28)20(26)23-16/h2-10H,11H2,1H3,(H2,22,23,25,26)/b10-7+InChIKey
GAWOOLVLADRLLB-JXMROGBWSA-NSynonyms
2((E)2(2((4chlorobenzyl)oxy)3methoxyphenyl)ethenyl)6hydroxy5nitropyrimidin4(3H)one
2((E)2(2((4CHLOROPHENYL)METHOXY)3METHOXYPHENYL)ETHENYL)4HYDROXY5NITRO1HPYRIMIDIN6ONE
COC1=CC=CC(=C1OCC2=CC=C(C=C2)Cl)C=CC3=NC(=C(C(=O)N3)(N+)(=O)(O))O
COc1cccc(c1OCc1ccc(cc1)Cl)C=Cc1nc(O)c(c(=O)(nH)1)(N+)(=O)(O)
InChI=1SC20H16ClN3O6c1291542313(18(15)3011125814(21)9612)710162219(25)17(24(27)28)20(26)2316h210H11H21H3(H222232526)b107+
MFCD07037491
ZINC000015009313
ZINC15009313
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