Vitas-M small molecule compound
2-({5-[(1,3-benzothiazol-2-ylsulfanyl)methyl]-4-(prop-2-en-1-yl)-4H-1,2,4-triazol-3-yl}sulfanyl)-1-(piperidin-1-yl)ethanone
Catalog ID
STL079460
SMILES C=CCn1c(SCC(=O)N2CCCCC2)nnc1CSc1nc2c(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 C20H23N5OS3 MW 445.63 g/mol Purity >90% as per NMR
InChI
InChI=1S/C20H23N5OS3/c1-2-10-25-17(13-28-20-21-15-8-4-5-9-16(15)29-20)22-23-19(25)27-14-18(26)24-11-6-3-7-12-24/h2,4-5,8-9H,1,3,6-7,10-14H2InChIKey
YPPUHUBYNHXVBC-UHFFFAOYSA-NSynonyms
2((5((13benzothiazol2ylsulfanyl)methyl)4(prop2en1yl)4H124triazol3yl)sulfanyl)1(piperidin1yl)ethanone
2((5(13BENZOTHIAZOL2YLSULFANYLMETHYL)4PROP2ENYL124TRIAZOL3YL)SULFANYL)1PIPERIDIN1YLETHANONE
2(5(BENZOTHIAZOL2YLTHIOMETHYL)4PROP2ENYL(124TRIAZOL3YLTHIO))1PIPERIDYLETHAN1ONE
C=CCN1C(=NN=C1SCC(=O)N2CCCCC2)CSC3=NC4=CC=CC=C4S3
InChI=1SC20H23N5OS3c12102517(1328202115845916(15)2920)222319(25)271418(26)24116371224h24589H13671014H2
MFCD02659622
ZINC000016790395
ZINC16790395
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