Vitas-M small molecule compound

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

Catalog ID
STK467900
SMILES CCc1c(C)scc1c1nnc(n1CC)SCC(=O)Nc1ccccc1Cl

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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 C19H21ClN4OS2 MW 420.99 g/mol Purity >90% as per NMR
InChI
InChI=1S/C19H21ClN4OS2/c1-4-13-12(3)26-10-14(13)18-22-23-19(24(18)5-2)27-11-17(25)21-16-9-7-6-8-15(16)20/h6-10H,4-5,11H2,1-3H3,(H,21,25)
InChIKey
DALDQERMTQPBDM-UHFFFAOYSA-N
Synonyms

CCC1=C(SC=C1C2=NN=C(N2CC)SCC(=O)NC3=CC=CC=C3Cl)C
InChI=1SC19H21ClN4OS2c141312(3)261014(13)18222319(24(18)52)271117(25)2116976815(16)20h610H4511H213H3(H2125)
MFCD06121494
N(2chlorophenyl)2((4ethyl5(4ethyl5methylthiophen3yl)124triazol3yl)sulfanyl)acetamide
N(2chlorophenyl)2((4ethyl5(4ethyl5methylthiophen3yl)4H124triazol3yl)sulfanyl)acetamide
ZINC000017092556
ZINC17092556

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Available files

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