Vitas-M small molecule compound

N-[5-(benzylsulfanyl)-1,3,4-thiadiazol-2-yl]-5-chloro-2-(propylsulfonyl)pyrimidine-4-carboxamide

Catalog ID
STK911129
SMILES CCCS(=O)(=O)c1ncc(c(n1)C(=O)Nc1nnc(s1)SCc1ccccc1)Cl

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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 C17H16ClN5O3S3 MW 470.00 g/mol Purity >90% as per NMR
InChI
InChI=1S/C17H16ClN5O3S3/c1-2-8-29(25,26)16-19-9-12(18)13(20-16)14(24)21-15-22-23-17(28-15)27-10-11-6-4-3-5-7-11/h3-7,9H,2,8,10H2,1H3,(H,21,22,24)
InChIKey
JLIDUKSFSDBHDY-UHFFFAOYSA-N
Synonyms

CCCS(=O)(=O)C1=NC=C(C(=N1)C(=O)NC2=NN=C(S2)SCC3=CC=CC=C3)Cl
InChI=1SC17H16ClN5O3S3c12829(2526)1619912(18)13(2016)14(24)2115222317(2815)2710116435711h379H2810H21H3(H212224)
MFCD07426044
N(5(benzylsulfanyl)134thiadiazol2yl)5chloro2(propylsulfonyl)pyrimidine4carboxamide
N(5benzylsulfanyl134thiadiazol2yl)5chloro2propylsulfonylpyrimidine4carboxamide
ZINC000008915209
ZINC08915209
ZINC8915209

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Available files

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