Vitas-M small molecule compound

3-[(2-phenylethyl)sulfanyl][1,2,4]triazolo[3,4-b][1,3]benzothiazole

Catalog ID
STK359444
SMILES c1ccc(cc1)CCSc1nnc2n1c1ccccc1s2

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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 C16H13N3S2 MW 311.43 g/mol Purity >90% as per NMR
InChI
InChI=1S/C16H13N3S2/c1-2-6-12(7-3-1)10-11-20-15-17-18-16-19(15)13-8-4-5-9-14(13)21-16/h1-9H,10-11H2
InChIKey
BNXKARNVXHVPLC-UHFFFAOYSA-N
Synonyms
514201-96-8
1(2phenylethylsulfanyl)(124)triazolo(34b)(13)benzothiazole
1PHENETHYLSULFANYL(124)TRIAZOLO(34B)(13)BENZOTHIAZOLE
3((2phenylethyl)sulfanyl)(124)triazolo(34b)(13)benzothiazole
3(phenethylthio)benzo(45)thiazolo(23c)(124)triazole
514201968
C1=CC=C(C=C1)CCSC2=NN=C3N2C4=CC=CC=C4S3
InChI=1SC16H13N3S2c12612(731)1011201517181619(15)13845914(13)2116h19H1011H2
MFCD03786927
ZINC000004151289
ZINC04151289
ZINC4151289

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Available files

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