Vitas-M small molecule compound

N-(5-chloro-2-methoxyphenyl)-2-{[4-ethyl-5-(4-fluorophenyl)-4H-1,2,4-triazol-3-yl]sulfanyl}acetamide

Catalog ID
STK400918
SMILES COc1ccc(cc1NC(=O)CSc1nnc(n1CC)c1ccc(cc1)F)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 C19H18ClFN4O2S MW 420.89 g/mol Purity >90% as per NMR
InChI
InChI=1S/C19H18ClFN4O2S/c1-3-25-18(12-4-7-14(21)8-5-12)23-24-19(25)28-11-17(26)22-15-10-13(20)6-9-16(15)27-2/h4-10H,3,11H2,1-2H3,(H,22,26)
InChIKey
ATFHNHWBPUNNTD-UHFFFAOYSA-N
Synonyms

CCN1C(=NN=C1SCC(=O)NC2=C(C=CC(=C2)Cl)OC)C3=CC=C(C=C3)F
InChI=1SC19H18ClFN4O2Sc132518(124714(21)8512)232419(25)281117(26)22151013(20)6916(15)272h410H311H212H3(H2226)
MFCD06106789
N(5chloro2methoxyphenyl)2((4ethyl5(4fluorophenyl)124triazol3yl)sulfanyl)acetamide
N(5chloro2methoxyphenyl)2((4ethyl5(4fluorophenyl)4H124triazol3yl)sulfanyl)acetamide
N(5CHLORO2METHOXYPHENYL)2(4ETHYL5(4FLUOROPHENYL)(124TRIAZOL3YLTHIO))ACETAMIDE
ZINC000017092473
ZINC17092473

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Available files

Download the SDF, MOL, 3D structure and SDS documents from Vitas-M.