Vitas-M small molecule compound

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

Catalog ID
STK624687
SMILES CNC(=O)C(C(=O)C)Sc1nnc([nH]1)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 C12H13N5O2S MW 291.33 g/mol Purity >90% as per NMR
InChI
InChI=1S/C12H13N5O2S/c1-7(18)9(11(19)13-2)20-12-15-10(16-17-12)8-4-3-5-14-6-8/h3-6,9H,1-2H3,(H,13,19)(H,15,16,17)
InChIKey
NIHJPYFHLISMDU-UHFFFAOYSA-N
Synonyms
929856-53-1
929856531
CC(=O)C(C(=O)NC)SC1=NNC(=N1)C2=CN=CC=C2
CNC(=O)C(C(=O)C)Sc1nnc((nH)1)c1cccnc1
InChI=1SC12H13N5O2Sc17(18)9(11(19)132)20121510(161712)84351468h369H12H3(H1319)(H151617)
MFCD09846522
Nmethyl3oxo2((5(pyridin3yl)4H124triazol3yl)sulfanyl)butanamide
Nmethyl3oxo2((5(pyridin3yl)4H124triazol3yl)thio)butanamide
Nmethyl3oxo2((5pyridin3yl1H124triazol3yl)sulfanyl)butanamide
ZINC000009575912
ZINC000009575914

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Available files

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