Vitas-M small molecule compound
2-{[5-(5-bromo-1-benzofuran-2-yl)-4-(prop-2-en-1-yl)-4H-1,2,4-triazol-3-yl]sulfanyl}-N-cyclohexylacetamide
Catalog ID
STK186615
SMILES C=CCn1c(SCC(=O)NC2CCCCC2)nnc1c1cc2c(o1)ccc(c2)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 C21H23BrN4O2S MW 475.41 g/mol Purity >90% as per NMR
InChI
InChI=1S/C21H23BrN4O2S/c1-2-10-26-20(18-12-14-11-15(22)8-9-17(14)28-18)24-25-21(26)29-13-19(27)23-16-6-4-3-5-7-16/h2,8-9,11-12,16H,1,3-7,10,13H2,(H,23,27)InChIKey
KMKBUTAXLVUTRD-UHFFFAOYSA-NSynonyms
2((5(5BROMO1BENZOFURAN2YL)4(PROP2EN1YL)4H124TRIAZOL3YL)SULFANYL)NCYCLOHEXYLACETAMIDE
2((5(5BROMO1BENZOFURAN2YL)4PROP2ENYL124TRIAZOL3YL)SULFANYL)NCYCLOHEXYLACETAMIDE
C=CCN1C(=NN=C1SCC(=O)NC2CCCCC2)C3=CC4=C(O3)C=CC(=C4)Br
InChI=1SC21H23BrN4O2Sc12102620(1812141115(22)8917(14)2818)242521(26)291319(27)23166435716h289111216H1371013H2(H2327)
MFCD04381644
ZINC000002859631
ZINC02859631
ZINC2859631
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