Vitas-M small molecule compound

2-({5-[(1,3-benzothiazol-2-ylsulfanyl)methyl]-4-phenyl-4H-1,2,4-triazol-3-yl}sulfanyl)-1-[4-(2-hydroxyethyl)piperazin-1-yl]ethanone

Catalog ID
STK544504
SMILES OCCN1CCN(CC1)C(=O)CSc1nnc(n1c1ccccc1)CSc1nc2c(s1)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 C24H26N6O2S3 MW 526.71 g/mol Purity >90% as per NMR
InChI
InChI=1S/C24H26N6O2S3/c31-15-14-28-10-12-29(13-11-28)22(32)17-33-23-27-26-21(30(23)18-6-2-1-3-7-18)16-34-24-25-19-8-4-5-9-20(19)35-24/h1-9,31H,10-17H2
InChIKey
AUGMPRRHLSWFQI-UHFFFAOYSA-N
Synonyms
315695-42-2
2((5((13benzothiazol2ylsulfanyl)methyl)4phenyl4H124triazol3yl)sulfanyl)1(4(2hydroxyethyl)piperazin1yl)ethanone
2((5((benzo(d)thiazol2ylthio)methyl)4phenyl4H124triazol3yl)thio)1(4(2hydroxyethyl)piperazin1yl)ethanone
2((5(13BENZOTHIAZOL2YLSULFANYLMETHYL)4PHENYL124TRIAZOL3YL)SULFANYL)1(4(2HYDROXYETHYL)PIPERAZIN1YL)ETHANONE
315695422
C1CN(CCN1CCO)C(=O)CSC2=NN=C(N2C3=CC=CC=C3)CSC4=NC5=CC=CC=C5S4
InChI=1SC24H26N6O2S3c31151428101229(131128)22(32)173323272621(30(23)186213718)1634242519845920(19)3524h1931H1017H2
MFCD02329925
ZINC000097951412
ZINC97951412

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Available files

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