Vitas-M small molecule compound

1-(biphenyl-4-yl)-2-{[5-(3-chloro-6-methoxy-1-benzothiophen-2-yl)-4-(prop-2-en-1-yl)-4H-1,2,4-triazol-3-yl]sulfanyl}ethanone

Catalog ID
STK807146
SMILES C=CCn1c(SCC(=O)c2ccc(cc2)c2ccccc2)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 C28H22ClN3O2S2 MW 532.09 g/mol Purity >90% as per NMR
InChI
InChI=1S/C28H22ClN3O2S2/c1-3-15-32-27(26-25(29)22-14-13-21(34-2)16-24(22)36-26)30-31-28(32)35-17-23(33)20-11-9-19(10-12-20)18-7-5-4-6-8-18/h3-14,16H,1,15,17H2,2H3
InChIKey
XQIZWMZEVSFHBP-UHFFFAOYSA-N
Synonyms

1(biphenyl4yl)2((5(3chloro6methoxy1benzothiophen2yl)4(prop2en1yl)4H124triazol3yl)sulfanyl)ethanone
1BIPHENYL4YL2((5(3CHLORO6METHOXY1BENZOTHIOPHEN2YL)4PROP2EN1YL4H124TRIAZOL3YL)SULFANYL)ETHANONE
2((5(3CHLORO6METHOXY1BENZOTHIOPHEN2YL)4PROP2ENYL124TRIAZOL3YL)SULFANYL)1(4PHENYLPHENYL)ETHANONE
2(5(3CHLORO6METHOXYBENZO(B)THIOPHEN2YL)4PROP2ENYL(124TRIAZOL3YLTHIO))1(4PHENYLPHENYL)ETHAN1ONE
COC1=CC2=C(C=C1)C(=C(S2)C3=NN=C(N3CC=C)SCC(=O)C4=CC=C(C=C4)C5=CC=CC=C5)Cl
InChI=1SC28H22ClN3O2S2c13153227(2625(29)22141321(342)1624(22)3626)303128(32)351723(33)2011919(101220)187546818h31416H11517H22H3
MFCD03621301
ZINC000002690527
ZINC2690527

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Available files

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