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-chlorophenyl)ethanone

Catalog ID
STK806922
SMILES C=CCn1c(SCC(=O)c2ccc(cc2)Cl)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 C21H15Cl2N3OS2 MW 460.41 g/mol Purity >90% as per NMR
InChI
InChI=1S/C21H15Cl2N3OS2/c1-2-11-26-20(19-18(23)15-5-3-4-6-17(15)29-19)24-25-21(26)28-12-16(27)13-7-9-14(22)10-8-13/h2-10H,1,11-12H2
InChIKey
WCBUMMJMHKWBQF-UHFFFAOYSA-N
Synonyms
494825-54-6
2((4allyl5(3chlorobenzo(b)thiophen2yl)4H124triazol3yl)thio)1(4chlorophenyl)ethanone
2((5(3chloro1benzothiophen2yl)4(prop2en1yl)4H124triazol3yl)sulfanyl)1(4chlorophenyl)ethanone
2((5(3CHLORO1BENZOTHIOPHEN2YL)4PROP2ENYL124TRIAZOL3YL)SULFANYL)1(4CHLOROPHENYL)ETHANONE
2(5(3CHLOROBENZO(B)THIOPHEN2YL)4PROP2ENYL(124TRIAZOL3YLTHIO))1(4CHLOROPHENYL)ETHAN1ONE
494825546
C=CCN1C(=NN=C1SCC(=O)C2=CC=C(C=C2)Cl)C3=C(C4=CC=CC=C4S3)Cl
InChI=1SC21H15Cl2N3OS2c12112620(1918(23)15534617(15)2919)242521(26)281216(27)137914(22)10813h210H11112H2
MFCD03268996
ZINC000001825173
ZINC01825173
ZINC1825173

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Available files

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