Vitas-M small molecule compound

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

Catalog ID
STK256797
SMILES O=C(C(Sc1nnc(n1c1ccccc1)c1cccnc1)C)Nc1nnc(s1)C

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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 C19H17N7OS2 MW 423.52 g/mol Purity >90% as per NMR
InChI
InChI=1S/C19H17N7OS2/c1-12(17(27)21-18-24-22-13(2)29-18)28-19-25-23-16(14-7-6-10-20-11-14)26(19)15-8-4-3-5-9-15/h3-12H,1-2H3,(H,21,24,27)
InChIKey
OLEPYFBNUWICQZ-UHFFFAOYSA-N
Synonyms

CC1=NN=C(S1)NC(=O)C(C)SC2=NN=C(N2C3=CC=CC=C3)C4=CN=CC=C4
InChI=1SC19H17N7OS2c112(17(27)2118242213(2)2918)2819252316(147610201114)26(19)158435915h312H12H3(H212427)
MFCD08685555
N(5methyl134thiadiazol2yl)2((4phenyl5(pyridin3yl)4H124triazol3yl)sulfanyl)propanamide
N(5methyl134thiadiazol2yl)2((4phenyl5pyridin3yl124triazol3yl)sulfanyl)propanamide
ZINC000009147026
ZINC000009147027

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Available files

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