Vitas-M small molecule compound
(5Z)-1,3-dimethyl-5-{[1-(4-nitrobenzyl)-1H-indol-3-yl]methylidene}-2-thioxoimidazolidin-4-one
Catalog ID
STL369734
SMILES S=C1N(C)C(=O)/C(=C/c2cn(c3c2cccc3)Cc2ccc(cc2)[N+](=O)[O-])/N1C
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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 C21H18N4O3S MW 406.47 g/mol Purity >90% as per NMR
InChI
InChI=1S/C21H18N4O3S/c1-22-19(20(26)23(2)21(22)29)11-15-13-24(18-6-4-3-5-17(15)18)12-14-7-9-16(10-8-14)25(27)28/h3-11,13H,12H2,1-2H3/b19-11-InChIKey
SMBCCHHEQUXAIC-ODLFYWEKSA-NSynonyms
(5Z)13DIMETHYL5((1((4NITROPHENYL)METHYL)INDOL3YL)METHYLIDENE)2SULFANYLIDENEIMIDAZOLIDIN4ONE
(5Z)13dimethyl5((1(4nitrobenzyl)1Hindol3yl)methylidene)2thioxoimidazolidin4one
CN1C(=CC2=CN(C3=CC=CC=C32)CC4=CC=C(C=C4)(N+)(=O)(O))C(=O)N(C1=S)C
InChI=1SC21H18N4O3Sc12219(20(26)23(2)21(22)29)11151324(18643517(15)18)12147916(10814)25(27)28h31113H12H212H3b1911
MFCD03715958
S=C1N(C)C(=O)C(=Cc2cn(c3c2cccc3)Cc2ccc(cc2)(N+)(=O)(O))N1C
ZINC000004881530
ZINC04881530
ZINC4881530
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