Vitas-M small molecule compound

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

Catalog ID
STK696892
SMILES CCn1c(SCC(=O)Nc2cccc(c2)Br)nnc1COc1ccc(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 C19H18BrClN4O2S MW 481.80 g/mol Purity >90% as per NMR
InChI
InChI=1S/C19H18BrClN4O2S/c1-2-25-17(11-27-16-8-6-14(21)7-9-16)23-24-19(25)28-12-18(26)22-15-5-3-4-13(20)10-15/h3-10H,2,11-12H2,1H3,(H,22,26)
InChIKey
MSNQAAYWRWWDDW-UHFFFAOYSA-N
Synonyms
862184-56-3
862184563
CCN1C(=NN=C1SCC(=O)NC2=CC(=CC=C2)Br)COC3=CC=C(C=C3)Cl
InChI=1SC19H18BrClN4O2Sc122517(1127168614(21)7916)232419(25)281218(26)221553413(20)1015h310H21112H21H3(H2226)
MFCD05687813
N(3BROMOPHENYL)2((5((4CHLOROPHENOXY)METHYL)4ETHYL124TRIAZOL3YL)SULFANYL)ACETAMIDE
N(3bromophenyl)2((5((4chlorophenoxy)methyl)4ethyl4H124triazol3yl)sulfanyl)acetamide
N(3bromophenyl)2((5((4chlorophenoxy)methyl)4ethyl4H124triazol3yl)thio)acetamide
N(3BROMOPHENYL)2((5(4CHLOROPHENOXYMETHYL)4ETHYL4H124TRIAZOL3YL)SULFANYL)ACETAMIDE
N(3BROMOPHENYL)2(5((4CHLOROPHENOXY)METHYL)4ETHYL(124TRIAZOL3YLTHIO))ACETAMIDE
ZINC000009499328
ZINC09499328
ZINC9499328

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Available files

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