Vitas-M small molecule compound

1-(biphenyl-4-yl)-2-({4-(furan-2-ylmethyl)-5-[(4-methylphenoxy)methyl]-4H-1,2,4-triazol-3-yl}sulfanyl)ethanone

Catalog ID
STK570421
SMILES Cc1ccc(cc1)OCc1nnc(n1Cc1ccco1)SCC(=O)c1ccc(cc1)c1ccccc1

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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 C29H25N3O3S MW 495.60 g/mol Purity >90% as per NMR
InChI
InChI=1S/C29H25N3O3S/c1-21-9-15-25(16-10-21)35-19-28-30-31-29(32(28)18-26-8-5-17-34-26)36-20-27(33)24-13-11-23(12-14-24)22-6-3-2-4-7-22/h2-17H,18-20H2,1H3
InChIKey
KRYMERGNBAFLMA-UHFFFAOYSA-N
Synonyms
849007-43-8
1((11biphenyl)4yl)2((4(furan2ylmethyl)5((ptolyloxy)methyl)4H124triazol3yl)thio)ethanone
1(biphenyl4yl)2((4(furan2ylmethyl)5((4methylphenoxy)methyl)4H124triazol3yl)sulfanyl)ethanone
2((4(FURAN2YLMETHYL)5((4METHYLPHENOXY)METHYL)124TRIAZOL3YL)SULFANYL)1(4PHENYLPHENYL)ETHANONE
2((4(FURAN2YLMETHYL)5(4METHYLPHENOXYMETHYL)4H124TRIAZOL3YL)SULFANYL)1(4PHENYLPHENYL)ETHAN1ONE
2(4(2FURYLMETHYL)5((4METHYLPHENOXY)METHYL)(124TRIAZOL3YLTHIO))1(4PHENYLPHENYL)ETHAN1ONE
849007438
CC1=CC=C(C=C1)OCC2=NN=C(N2CC3=CC=CO3)SCC(=O)C4=CC=C(C=C4)C5=CC=CC=C5
InChI=1SC29H25N3O3Sc12191525(161021)351928303129(32(28)182685173426)362027(33)24131123(121424)226324722h217H1820H21H3
MFCD05680395
ZINC000002450843
ZINC02450843
ZINC2450843

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Available files

Download the SDF, MOL, 3D structure and SDS documents from Vitas-M.