Vitas-M small molecule compound
(5Z)-5-{3-bromo-5-methoxy-4-[(3-nitrobenzyl)oxy]benzylidene}-1,3-dimethyl-2-thioxoimidazolidin-4-one
Catalog ID
STL369764
SMILES COc1cc(/C=C\2/C(=O)N(C(=S)N2C)C)cc(c1OCc1cccc(c1)[N+](=O)[O-])Br
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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 C20H18BrN3O5S MW 492.35 g/mol Purity >90% as per NMR
InChI
InChI=1S/C20H18BrN3O5S/c1-22-16(19(25)23(2)20(22)30)9-13-8-15(21)18(17(10-13)28-3)29-11-12-5-4-6-14(7-12)24(26)27/h4-10H,11H2,1-3H3/b16-9-InChIKey
RVJJQYLGNDCLQD-SXGWCWSVSA-NSynonyms
(5Z)5((3BROMO5METHOXY4((3NITROPHENYL)METHOXY)PHENYL)METHYLIDENE)13DIMETHYL2SULFANYLIDENEIMIDAZOLIDIN4ONE
(5Z)5(3bromo5methoxy4((3nitrobenzyl)oxy)benzylidene)13dimethyl2thioxoimidazolidin4one
CN1C(=CC2=CC(=C(C(=C2)Br)OCC3=CC(=CC=C3)(N+)(=O)(O))OC)C(=O)N(C1=S)C
COc1cc(C=C2C(=O)N(C(=S)N2C)C)cc(c1OCc1cccc(c1)(N+)(=O)(O))Br
InChI=1SC20H18BrN3O5Sc12216(19(25)23(2)20(22)30)913815(21)18(17(1013)283)29111254614(712)24(26)27h410H11H213H3b169
MFCD03716720
ZINC000009296067
ZINC09296067
ZINC9296067
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