Vitas-M small molecule compound

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

Catalog ID
STK278889
SMILES CCC(C(=O)Nc1nccs1)Sc1nnc(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 C18H22N6OS2 MW 402.54 g/mol Purity >90% as per NMR
InChI
InChI=1S/C18H22N6OS2/c1-4-14(16(25)21-17-20-9-10-26-17)27-18-23-22-15(24(18)11-12(2)3)13-5-7-19-8-6-13/h5-10,12,14H,4,11H2,1-3H3,(H,20,21,25)
InChIKey
SEDUUHGMVZYNGI-UHFFFAOYSA-N
Synonyms

2((4(2methylpropyl)5(pyridin4yl)4H124triazol3yl)sulfanyl)N(13thiazol2yl)butanamide
2((4(2methylpropyl)5pyridin4yl124triazol3yl)sulfanyl)N(13thiazol2yl)butanamide
CCC(C(=O)NC1=NC=CS1)SC2=NN=C(N2CC(C)C)C3=CC=NC=C3
InChI=1SC18H22N6OS2c1414(16(25)2117209102617)2718232215(24(18)1112(2)3)1357198613h5101214H411H213H3(H202125)
MFCD09269648
ZINC000009095998
ZINC000009095999

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Available files

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