Vitas-M small molecule compound

N-(3-acetylphenyl)-2-{[4-methyl-5-(pyridin-4-yl)-4H-1,2,4-triazol-3-yl]sulfanyl}butanamide

Catalog ID
STK497713
SMILES CCC(C(=O)Nc1cccc(c1)C(=O)C)Sc1nnc(n1C)c1ccncc1

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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 C20H21N5O2S MW 395.49 g/mol Purity >90% as per NMR
InChI
InChI=1S/C20H21N5O2S/c1-4-17(19(27)22-16-7-5-6-15(12-16)13(2)26)28-20-24-23-18(25(20)3)14-8-10-21-11-9-14/h5-12,17H,4H2,1-3H3,(H,22,27)
InChIKey
KEUHEIRAGGCERC-UHFFFAOYSA-N
Synonyms

CCC(C(=O)NC1=CC=CC(=C1)C(=O)C)SC2=NN=C(N2C)C3=CC=NC=C3
InChI=1SC20H21N5O2Sc1417(19(27)221675615(1216)13(2)26)2820242318(25(20)3)148102111914h51217H4H213H3(H2227)
MFCD11855068
N(3acetylphenyl)2((4methyl5(pyridin4yl)4H124triazol3yl)sulfanyl)butanamide
N(3acetylphenyl)2((4methyl5pyridin4yl124triazol3yl)sulfanyl)butanamide
ZINC000009593308
ZINC000009593310

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Available files

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