Vitas-M small molecule compound
2-{[5-(1-benzofuran-2-yl)-4-(propan-2-yl)-4H-1,2,4-triazol-3-yl]sulfanyl}-N-cyclohexylacetamide
Catalog ID
STL122459
SMILES O=C(NC1CCCCC1)CSc1nnc(n1C(C)C)c1cc2c(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 C21H26N4O2S MW 398.53 g/mol Purity >90% as per NMR
InChI
InChI=1S/C21H26N4O2S/c1-14(2)25-20(18-12-15-8-6-7-11-17(15)27-18)23-24-21(25)28-13-19(26)22-16-9-4-3-5-10-16/h6-8,11-12,14,16H,3-5,9-10,13H2,1-2H3,(H,22,26)InChIKey
NEXRPRYSIKPJHG-UHFFFAOYSA-NSynonyms
2((5(1benzofuran2yl)4(propan2yl)4H124triazol3yl)sulfanyl)Ncyclohexylacetamide
2((5(1benzofuran2yl)4propan2yl124triazol3yl)sulfanyl)Ncyclohexylacetamide
CC(C)N1C(=NN=C1SCC(=O)NC2CCCCC2)C3=CC4=CC=CC=C4O3
InChI=1SC21H26N4O2Sc114(2)2520(1812158671117(15)2718)232421(25)281319(26)221694351016h6811121416H3591013H212H3(H2226)
MFCD17011668
ZINC000009595093
ZINC09595093
ZINC9595093
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