Vitas-M small molecule compound

3-chloro-N-(5-pentyl-1,3,4-thiadiazol-2-yl)-1-benzothiophene-2-carboxamide

Catalog ID
STK159210
SMILES CCCCCc1nnc(s1)NC(=O)c1sc2c(c1Cl)cccc2

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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 C16H16ClN3OS2 MW 365.91 g/mol Purity >90% as per NMR
InChI
InChI=1S/C16H16ClN3OS2/c1-2-3-4-9-12-19-20-16(23-12)18-15(21)14-13(17)10-7-5-6-8-11(10)22-14/h5-8H,2-4,9H2,1H3,(H,18,20,21)
InChIKey
QEFNLCXCGYFQDD-UHFFFAOYSA-N
Synonyms
708237-26-7
(3CHLOROBENZO(B)THIOPHEN2YL)N(5PENTYL(134THIADIAZOL2YL))CARBOXAMIDE
3CHLORON(5PENTYL134THIADIAZOL2YL)1BENZOTHIOPHENE2CARBOXAMIDE
708237267
CCCCCC1=NN=C(S1)NC(=O)C2=C(C3=CC=CC=C3S2)Cl
InChI=1SC16H16ClN3OS2c1234912192016(2312)1815(21)1413(17)10756811(10)2214h58H249H21H3(H182021)
MFCD04278176
ZINC000002858468
ZINC02858468
ZINC2858468

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Available files

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