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-phenylethanone

Catalog ID
STK806931
SMILES C=CCn1c(SCC(=O)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 C22H18ClN3O2S2 MW 455.99 g/mol Purity >90% as per NMR
InChI
InChI=1S/C22H18ClN3O2S2/c1-3-11-26-21(20-19(23)16-10-9-15(28-2)12-18(16)30-20)24-25-22(26)29-13-17(27)14-7-5-4-6-8-14/h3-10,12H,1,11,13H2,2H3
InChIKey
MUFLTAHCJFQQLC-UHFFFAOYSA-N
Synonyms
488840-46-6
2((4allyl5(3chloro6methoxybenzo(b)thiophen2yl)4H124triazol3yl)thio)1phenylethanone
2((5(3chloro6methoxy1benzothiophen2yl)4(prop2en1yl)4H124triazol3yl)sulfanyl)1phenylethanone
2((5(3CHLORO6METHOXY1BENZOTHIOPHEN2YL)4PROP2ENYL124TRIAZOL3YL)SULFANYL)1PHENYLETHANONE
2(5(3CHLORO6METHOXYBENZO(B)THIOPHEN2YL)4PROP2ENYL(124TRIAZOL3YLTHIO))1PHENYLETHAN1ONE
488840466
COC1=CC2=C(C=C1)C(=C(S2)C3=NN=C(N3CC=C)SCC(=O)C4=CC=CC=C4)Cl
InChI=1SC22H18ClN3O2S2c13112621(2019(23)1610915(282)1218(16)3020)242522(26)291317(27)147546814h31012H11113H22H3
MFCD03294226
ZINC000001836104
ZINC01836104
ZINC1836104

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Available files

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