Vitas-M small molecule compound
2-{[5-(3-chloro-1-benzothiophen-2-yl)-4-(prop-2-en-1-yl)-4H-1,2,4-triazol-3-yl]sulfanyl}-1-(4-methoxyphenyl)ethanone
Catalog ID
STK806930
SMILES C=CCn1c(SCC(=O)c2ccc(cc2)OC)nnc1c1sc2c(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 C22H18ClN3O2S2 MW 455.99 g/mol Purity >90% as per NMR
InChI
InChI=1S/C22H18ClN3O2S2/c1-3-12-26-21(20-19(23)16-6-4-5-7-18(16)30-20)24-25-22(26)29-13-17(27)14-8-10-15(28-2)11-9-14/h3-11H,1,12-13H2,2H3InChIKey
AGKUVIGIJZFDQZ-UHFFFAOYSA-NSynonyms
488853-58-32((4allyl5(3chlorobenzo(b)thiophen2yl)4H124triazol3yl)thio)1(4methoxyphenyl)ethanone
2((5(3chloro1benzothiophen2yl)4(prop2en1yl)4H124triazol3yl)sulfanyl)1(4methoxyphenyl)ethanone
2((5(3CHLORO1BENZOTHIOPHEN2YL)4PROP2ENYL124TRIAZOL3YL)SULFANYL)1(4METHOXYPHENYL)ETHANONE
2(5(3CHLOROBENZO(B)THIOPHEN2YL)4PROP2ENYL(124TRIAZOL3YLTHIO))1(4METHOXYPHENYL)ETHAN1ONE
488853583
COC1=CC=C(C=C1)C(=O)CSC2=NN=C(N2CC=C)C3=C(C4=CC=CC=C4S3)Cl
InChI=1SC22H18ClN3O2S2c13122621(2019(23)16645718(16)3020)242522(26)291317(27)1481015(282)11914h311H11213H22H3
MFCD03294800
ZINC000001165428
ZINC01165428
ZINC1165428
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