Vitas-M small molecule compound

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

Catalog ID
STK297395
SMILES O=C(Nc1ccccc1)CCSc1nnc(n1CC(C)C)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 C20H23N5OS MW 381.50 g/mol Purity >90% as per NMR
InChI
InChI=1S/C20H23N5OS/c1-15(2)14-25-19(16-8-11-21-12-9-16)23-24-20(25)27-13-10-18(26)22-17-6-4-3-5-7-17/h3-9,11-12,15H,10,13-14H2,1-2H3,(H,22,26)
InChIKey
NFJOHPSZBHNDCC-UHFFFAOYSA-N
Synonyms

3((4(2methylpropyl)5(pyridin4yl)4H124triazol3yl)sulfanyl)Nphenylpropanamide
3((4(2methylpropyl)5pyridin4yl124triazol3yl)sulfanyl)Nphenylpropanamide
CC(C)CN1C(=NN=C1SCCC(=O)NC2=CC=CC=C2)C3=CC=NC=C3
InChI=1SC20H23N5OSc115(2)142519(168112112916)232420(25)27131018(26)22176435717h39111215H101314H212H3(H2226)
MFCD09871118
ZINC000009226154
ZINC09226154
ZINC9226154

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Available files

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