Vitas-M small molecule compound
methyl [(5Z)-3-methyl-5-{4-[(3-nitrobenzyl)oxy]benzylidene}-4-oxo-2-thioxoimidazolidin-1-yl]acetate
Catalog ID
STL369421
SMILES COC(=O)CN1C(=S)N(C(=O)/C/1=C/c1ccc(cc1)OCc1cccc(c1)[N+](=O)[O-])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 C21H19N3O6S MW 441.46 g/mol Purity >90% as per NMR
InChI
InChI=1S/C21H19N3O6S/c1-22-20(26)18(23(21(22)31)12-19(25)29-2)11-14-6-8-17(9-7-14)30-13-15-4-3-5-16(10-15)24(27)28/h3-11H,12-13H2,1-2H3/b18-11-InChIKey
ZMPZJMQEYFZDEJ-WQRHYEAKSA-NSynonyms
CN1C(=O)C(=CC2=CC=C(C=C2)OCC3=CC(=CC=C3)(N+)(=O)(O))N(C1=S)CC(=O)OC
COC(=O)CN1C(=S)N(C(=O)C1=Cc1ccc(cc1)OCc1cccc(c1)(N+)(=O)(O))C
InChI=1SC21H19N3O6Sc12220(26)18(23(21(22)31)1219(25)292)11146817(9714)30131543516(1015)24(27)28h311H1213H212H3b1811
methyl((5Z)3methyl5(4((3nitrobenzyl)oxy)benzylidene)4oxo2thioxoimidazolidin1yl)acetate
METHYL2((5Z)3METHYL5((4((3NITROPHENYL)METHOXY)PHENYL)METHYLIDENE)4OXO2SULFANYLIDENEIMIDAZOLIDIN1YL)ACETATE
MFCD03722267
ZINC000001107013
ZINC01107013
ZINC1107013
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