Vitas-M small molecule compound

N-(4-chlorophenyl)-2-{[4-ethyl-5-(7-methoxy-1-benzofuran-2-yl)-4H-1,2,4-triazol-3-yl]sulfanyl}acetamide

Catalog ID
STK117906
SMILES COc1cccc2c1oc(c2)c1nnc(n1CC)SCC(=O)Nc1ccc(cc1)Cl

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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 C21H19ClN4O3S MW 442.93 g/mol Purity >90% as per NMR
InChI
InChI=1S/C21H19ClN4O3S/c1-3-26-20(17-11-13-5-4-6-16(28-2)19(13)29-17)24-25-21(26)30-12-18(27)23-15-9-7-14(22)8-10-15/h4-11H,3,12H2,1-2H3,(H,23,27)
InChIKey
GTEIVRJXQDQCJL-UHFFFAOYSA-N
Synonyms

CCN1C(=NN=C1SCC(=O)NC2=CC=C(C=C2)Cl)C3=CC4=C(O3)C(=CC=C4)OC
InChI=1SC21H19ClN4O3Sc132620(17111354616(282)19(13)2917)242521(26)301218(27)23159714(22)81015h411H312H212H3(H2327)
MFCD04128174
N(4CHLOROPHENYL)2((4ETHYL5(7METHOXY1BENZOFURAN2YL)124TRIAZOL3YL)SULFANYL)ACETAMIDE
N(4CHLOROPHENYL)2((4ETHYL5(7METHOXY1BENZOFURAN2YL)4H124TRIAZOL3YL)SULFANYL)ACETAMIDE
ZINC000000687530
ZINC00687530
ZINC687530

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Available files

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