Vitas-M small molecule compound
N-cyclohexyl-2-{[4-ethyl-5-(7-methoxy-1-benzofuran-2-yl)-4H-1,2,4-triazol-3-yl]sulfanyl}-N-methylacetamide
Catalog ID
STL140321
SMILES COc1cccc2c1oc(c2)c1nnc(n1CC)SCC(=O)N(C1CCCCC1)C
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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 C22H28N4O3S MW 428.56 g/mol Purity >90% as per NMR
InChI
InChI=1S/C22H28N4O3S/c1-4-26-21(18-13-15-9-8-12-17(28-3)20(15)29-18)23-24-22(26)30-14-19(27)25(2)16-10-6-5-7-11-16/h8-9,12-13,16H,4-7,10-11,14H2,1-3H3InChIKey
BJWGJDSBODRNIR-UHFFFAOYSA-NSynonyms
CCN1C(=NN=C1SCC(=O)N(C)C2CCCCC2)C3=CC4=C(O3)C(=CC=C4)OC
InChI=1SC22H28N4O3Sc142621(181315981217(283)20(15)2918)232422(26)301419(27)25(2)16106571116h89121316H47101114H213H3
MFCD17011619
Ncyclohexyl2((4ethyl5(7methoxy1benzofuran2yl)124triazol3yl)sulfanyl)Nmethylacetamide
Ncyclohexyl2((4ethyl5(7methoxy1benzofuran2yl)4H124triazol3yl)sulfanyl)Nmethylacetamide
ZINC000048513718
ZINC48513718
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