Vitas-M small molecule compound

3,5-bis[(2-cyclopropyl-2-oxoethyl)sulfanyl]-1,2-thiazole-4-carbonitrile

Catalog ID
STL355889
SMILES N#Cc1c(SCC(=O)C2CC2)nsc1SCC(=O)C1CC1

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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 C14H14N2O2S3 MW 338.48 g/mol Purity >90% as per NMR
InChI
InChI=1S/C14H14N2O2S3/c15-5-10-13(19-6-11(17)8-1-2-8)16-21-14(10)20-7-12(18)9-3-4-9/h8-9H,1-4,6-7H2
InChIKey
XBPIJVXNWKCBCM-UHFFFAOYSA-N
Synonyms
332110-27-7
332110277
35bis((2cyclopropyl2oxoethyl)sulfanyl)12thiazole4carbonitrile
35bis((2cyclopropyl2oxoethyl)thio)isothiazole4carbonitrile
35BIS(2CYCLOPROPYL2OXOETHYLSULFANYL)ISOTHIAZOLE4CARBONITRILE
C1CC1C(=O)CSC2=C(C(=NS2)SCC(=O)C3CC3)C#N
InChI=1SC14H14N2O2S3c1551013(19611(17)8128)162114(10)20712(18)9349h89H1467H2
MFCD01576035
ZINC000004871579
ZINC04871579
ZINC4871579

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Available files

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