Vitas-M small molecule compound
2-[(E)-2-{4-[(4-chlorobenzyl)oxy]-3-ethoxy-5-(prop-2-en-1-yl)phenyl}ethenyl]-6-hydroxy-5-nitropyrimidin-4(3H)-one
Catalog ID
STL297417
SMILES CCOc1cc(/C=C/c2nc(O)c(c(=O)[nH]2)[N+](=O)[O-])cc(c1OCc1ccc(cc1)Cl)CC=C
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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 C24H22ClN3O6 MW 483.91 g/mol Purity >90% as per NMR
InChI
InChI=1S/C24H22ClN3O6/c1-3-5-17-12-16(8-11-20-26-23(29)21(28(31)32)24(30)27-20)13-19(33-4-2)22(17)34-14-15-6-9-18(25)10-7-15/h3,6-13H,1,4-5,14H2,2H3,(H2,26,27,29,30)/b11-8+InChIKey
ZYDLZPWALZXHGR-DHZHZOJOSA-NSynonyms
2((E)2(4((4chlorobenzyl)oxy)3ethoxy5(prop2en1yl)phenyl)ethenyl)6hydroxy5nitropyrimidin4(3H)one
2((E)2(4((4CHLOROPHENYL)METHOXY)3ETHOXY5PROP2ENYLPHENYL)ETHENYL)4HYDROXY5NITRO1HPYRIMIDIN6ONE
CCOC1=CC(=CC(=C1OCC2=CC=C(C=C2)Cl)CC=C)C=CC3=NC(=C(C(=O)N3)(N+)(=O)(O))O
CCOc1cc(C=Cc2nc(O)c(c(=O)(nH)2)(N+)(=O)(O))cc(c1OCc1ccc(cc1)Cl)CC=C
InChI=1SC24H22ClN3O6c135171216(811202623(29)21(28(31)32)24(30)2720)1319(3342)22(17)3414156918(25)10715h3613H14514H22H3(H226272930)b118+
MFCD05992957
ZINC000009234781
ZINC9234781
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