Vitas-M small molecule compound

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

Catalog ID
STK506376
SMILES CCC(C(=O)Nc1nnc(s1)CC)Sc1nnc(n1C)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 C16H19N7OS2 MW 389.51 g/mol Purity >90% as per NMR
InChI
InChI=1S/C16H19N7OS2/c1-4-11(14(24)18-15-21-19-12(5-2)26-15)25-16-22-20-13(23(16)3)10-7-6-8-17-9-10/h6-9,11H,4-5H2,1-3H3,(H,18,21,24)
InChIKey
YRXOTAUUYUNQMD-UHFFFAOYSA-N
Synonyms

CCC1=NN=C(S1)NC(=O)C(CC)SC2=NN=C(N2C)C3=CN=CC=C3
InChI=1SC16H19N7OS2c1411(14(24)1815211912(52)2615)2516222013(23(16)3)1076817910h6911H45H213H3(H182124)
MFCD13368976
N(5ethyl134thiadiazol2yl)2((4methyl5(pyridin3yl)4H124triazol3yl)sulfanyl)butanamide
N(5ethyl134thiadiazol2yl)2((4methyl5pyridin3yl124triazol3yl)sulfanyl)butanamide
ZINC000035655244
ZINC000035655246

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Available files

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