Vitas-M small molecule compound

N-(4-cyanophenyl)-2-{[4-(2-methylpropyl)-5-(pyridin-3-yl)-4H-1,2,4-triazol-3-yl]sulfanyl}acetamide

Catalog ID
STK497694
SMILES N#Cc1ccc(cc1)NC(=O)CSc1nnc(n1CC(C)C)c1cccnc1

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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 C20H20N6OS MW 392.48 g/mol Purity >90% as per NMR
InChI
InChI=1S/C20H20N6OS/c1-14(2)12-26-19(16-4-3-9-22-11-16)24-25-20(26)28-13-18(27)23-17-7-5-15(10-21)6-8-17/h3-9,11,14H,12-13H2,1-2H3,(H,23,27)
InChIKey
QXEGYTUOOJFRNO-UHFFFAOYSA-N
Synonyms

CC(C)CN1C(=NN=C1SCC(=O)NC2=CC=C(C=C2)C#N)C3=CN=CC=C3
InChI=1SC20H20N6OSc114(2)122619(16439221116)242520(26)281318(27)23177515(1021)6817h391114H1213H212H3(H2327)
MFCD11855053
N(4cyanophenyl)2((4(2methylpropyl)5(pyridin3yl)4H124triazol3yl)sulfanyl)acetamide
N(4cyanophenyl)2((4(2methylpropyl)5pyridin3yl124triazol3yl)sulfanyl)acetamide
ZINC000032579404
ZINC32579404

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Available files

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