Vitas-M small molecule compound

N-(3-bromophenyl)-2-{[5-(2-fluorophenyl)-4-(furan-2-ylmethyl)-4H-1,2,4-triazol-3-yl]sulfanyl}acetamide

Catalog ID
STK578042
SMILES O=C(Nc1cccc(c1)Br)CSc1nnc(n1Cc1ccco1)c1ccccc1F

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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 C21H16BrFN4O2S MW 487.35 g/mol Purity >90% as per NMR
InChI
InChI=1S/C21H16BrFN4O2S/c22-14-5-3-6-15(11-14)24-19(28)13-30-21-26-25-20(17-8-1-2-9-18(17)23)27(21)12-16-7-4-10-29-16/h1-11H,12-13H2,(H,24,28)
InChIKey
CXFZSFRUVWRCNS-UHFFFAOYSA-N
Synonyms
849001-30-5
849001305
C1=CC=C(C(=C1)C2=NN=C(N2CC3=CC=CO3)SCC(=O)NC4=CC(=CC=C4)Br)F
InChI=1SC21H16BrFN4O2Sc221453615(1114)2419(28)133021262520(17812918(17)23)27(21)121674102916h111H1213H2(H2428)
MFCD05679906
N(3BROMOPHENYL)2((5(2FLUOROPHENYL)4(FURAN2YLMETHYL)124TRIAZOL3YL)SULFANYL)ACETAMIDE
N(3bromophenyl)2((5(2fluorophenyl)4(furan2ylmethyl)4H124triazol3yl)sulfanyl)acetamide
N(3bromophenyl)2((5(2fluorophenyl)4(furan2ylmethyl)4H124triazol3yl)thio)acetamide
N(3BROMOPHENYL)2(5(2FLUOROPHENYL)4(2FURYLMETHYL)(124TRIAZOL3YLTHIO))ACETAMIDE
ZINC000002450051
ZINC02450051
ZINC2450051

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Available files

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