Vitas-M small molecule compound

2-{[4-benzyl-5-(phenoxymethyl)-4H-1,2,4-triazol-3-yl]sulfanyl}-1-(biphenyl-4-yl)ethanone

Catalog ID
STK271587
SMILES O=C(c1ccc(cc1)c1ccccc1)CSc1nnc(n1Cc1ccccc1)COc1ccccc1

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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 C30H25N3O2S MW 491.61 g/mol Purity >90% as per NMR
InChI
InChI=1S/C30H25N3O2S/c34-28(26-18-16-25(17-19-26)24-12-6-2-7-13-24)22-36-30-32-31-29(21-35-27-14-8-3-9-15-27)33(30)20-23-10-4-1-5-11-23/h1-19H,20-22H2
InChIKey
JWCBNMZTGAXUJW-UHFFFAOYSA-N
Synonyms

2((4BENZYL5(PHENOXYMETHYL)124TRIAZOL3YL)SULFANYL)1(4PHENYLPHENYL)ETHANONE
2((4benzyl5(phenoxymethyl)4H124triazol3yl)sulfanyl)1(biphenyl4yl)ethanone
C1=CC=C(C=C1)CN2C(=NN=C2SCC(=O)C3=CC=C(C=C3)C4=CC=CC=C4)COC5=CC=CC=C5
InChI=1SC30H25N3O2Sc3428(26181625(171926)24126271324)223630323129(213527148391527)33(30)2023104151123h119H2022H2
MFCD06091039
ZINC000002878036
ZINC02878036
ZINC2878036

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Available files

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