Vitas-M small molecule compound
(5Z)-5-{[1-(4-nitrobenzyl)-1H-indol-3-yl]methylidene}-3-propyl-2-thioxoimidazolidin-4-one
Catalog ID
STL375297
SMILES CCCN1C(=S)N/C(=C\c2cn(c3c2cccc3)Cc2ccc(cc2)[N+](=O)[O-])/C1=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 C22H20N4O3S MW 420.49 g/mol Purity >90% as per NMR
InChI
InChI=1S/C22H20N4O3S/c1-2-11-25-21(27)19(23-22(25)30)12-16-14-24(20-6-4-3-5-18(16)20)13-15-7-9-17(10-8-15)26(28)29/h3-10,12,14H,2,11,13H2,1H3,(H,23,30)/b19-12-InChIKey
SLDRVEBDZXRIDA-UNOMPAQXSA-NSynonyms
(5Z)5((1((4NITROPHENYL)METHYL)INDOL3YL)METHYLIDENE)3PROPYL2SULFANYLIDENEIMIDAZOLIDIN4ONE
(5Z)5((1(4nitrobenzyl)1Hindol3yl)methylidene)3propyl2thioxoimidazolidin4one
CCCN1C(=O)C(=CC2=CN(C3=CC=CC=C32)CC4=CC=C(C=C4)(N+)(=O)(O))NC1=S
CCCN1C(=S)NC(=Cc2cn(c3c2cccc3)Cc2ccc(cc2)(N+)(=O)(O))C1=O
InChI=1SC22H20N4O3Sc12112521(27)19(2322(25)30)12161424(20643518(16)20)13157917(10815)26(28)29h3101214H21113H21H3(H2330)b1912
MFCD04086915
ZINC000001106921
ZINC01106921
ZINC1106921
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