Vitas-M small molecule compound
2-{[5-(3-chloro-6-methoxy-1-benzothiophen-2-yl)-4-(prop-2-en-1-yl)-4H-1,2,4-triazol-3-yl]sulfanyl}-1-(4-fluorophenyl)ethanone
Catalog ID
STK544422
SMILES C=CCn1c(SCC(=O)c2ccc(cc2)F)nnc1c1sc2c(c1Cl)ccc(c2)OC
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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 C22H17ClFN3O2S2 MW 473.98 g/mol Purity >90% as per NMR
InChI
InChI=1S/C22H17ClFN3O2S2/c1-3-10-27-21(20-19(23)16-9-8-15(29-2)11-18(16)31-20)25-26-22(27)30-12-17(28)13-4-6-14(24)7-5-13/h3-9,11H,1,10,12H2,2H3InChIKey
GYIJUAHQLXEZQT-UHFFFAOYSA-NSynonyms
494200-99-62((4allyl5(3chloro6methoxybenzo(b)thiophen2yl)4H124triazol3yl)thio)1(4fluorophenyl)ethanone
2((5(3chloro6methoxy1benzothiophen2yl)4(prop2en1yl)4H124triazol3yl)sulfanyl)1(4fluorophenyl)ethanone
2((5(3CHLORO6METHOXY1BENZOTHIOPHEN2YL)4PROP2ENYL124TRIAZOL3YL)SULFANYL)1(4FLUOROPHENYL)ETHANONE
2(5(3CHLORO6METHOXYBENZO(B)THIOPHEN2YL)4PROP2ENYL(124TRIAZOL3YLTHIO))1(4FLUOROPHENYL)ETHAN1ONE
494200996
COC1=CC2=C(C=C1)C(=C(S2)C3=NN=C(N3CC=C)SCC(=O)C4=CC=C(C=C4)F)Cl
InChI=1SC22H17ClFN3O2S2c13102721(2019(23)169815(292)1118(16)3120)252622(27)301217(28)134614(24)7513h3911H11012H22H3
MFCD03300767
ZINC000001747718
ZINC01747718
ZINC1747718
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