Vitas-M small molecule compound
2-{[5-(1-benzofuran-2-yl)-4-(prop-2-en-1-yl)-4H-1,2,4-triazol-3-yl]sulfanyl}-N-(2-oxo-2,3-dihydro-1H-benzimidazol-5-yl)acetamide
Catalog ID
STL405947
SMILES C=CCn1c(SCC(=O)Nc2ccc3c(c2)[nH]c(=O)[nH]3)nnc1c1cc2c(o1)cccc2
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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 C22H18N6O3S MW 446.49 g/mol Purity >90% as per NMR
InChI
InChI=1S/C22H18N6O3S/c1-2-9-28-20(18-10-13-5-3-4-6-17(13)31-18)26-27-22(28)32-12-19(29)23-14-7-8-15-16(11-14)25-21(30)24-15/h2-8,10-11H,1,9,12H2,(H,23,29)(H2,24,25,30)InChIKey
VDBOUHFWGDKDMM-UHFFFAOYSA-NSynonyms
2((5(1benzofuran2yl)4(prop2en1yl)4H124triazol3yl)sulfanyl)N(2oxo23dihydro1Hbenzimidazol5yl)acetamide
2((5(1benzofuran2yl)4prop2enyl124triazol3yl)sulfanyl)N(2oxo13dihydrobenzimidazol5yl)acetamide
C=CCN1C(=NN=C1SCC(=O)NC2=CC3=C(C=C2)NC(=O)N3)C4=CC5=CC=CC=C5O4
C=CCn1c(SCC(=O)Nc2ccc3c(c2)(nH)c(=O)(nH)3)nnc1c1cc2c(o1)cccc2
InChI=1SC22H18N6O3Sc1292820(181013534617(13)3118)262722(28)321219(29)2314781516(1114)2521(30)2415h281011H1912H2(H2329)(H2242530)
MFCD09216136
ZINC000010675386
ZINC10675386
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