Vitas-M small molecule compound

2-({5-[3-(azepan-1-ylsulfonyl)phenyl]-1,3,4-oxadiazol-2-yl}sulfanyl)-1-phenylethanone

Catalog ID
STK808185
SMILES O=C(c1ccccc1)CSc1nnc(o1)c1cccc(c1)S(=O)(=O)N1CCCCCC1

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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 C22H23N3O4S2 MW 457.57 g/mol Purity >90% as per NMR
InChI
InChI=1S/C22H23N3O4S2/c26-20(17-9-4-3-5-10-17)16-30-22-24-23-21(29-22)18-11-8-12-19(15-18)31(27,28)25-13-6-1-2-7-14-25/h3-5,8-12,15H,1-2,6-7,13-14,16H2
InChIKey
WCABOFOMIQPQRN-UHFFFAOYSA-N
Synonyms
912906-42-4
2((5(3(azepan1ylsulfonyl)phenyl)134oxadiazol2yl)sulfanyl)1phenylethanone
2((5(3(AZEPAN1YLSULFONYL)PHENYL)134OXADIAZOL2YL)THIO)1PHENYLETHANONE
2(5(3(AZAPERHYDROEPINYLSULFONYL)PHENYL)(134OXADIAZOL2YLTHIO))1PHENYLETHAN1ONE
912906424
C1CCCN(CC1)S(=O)(=O)C2=CC=CC(=C2)C3=NN=C(O3)SCC(=O)C4=CC=CC=C4
InChI=1SC22H23N3O4S2c2620(1794351017)163022242321(2922)181181219(1518)31(2728)251361271425h3581215H1267131416H2
MFCD09250113
ZINC000008843956
ZINC08843956
ZINC8843956

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Available files

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