Vitas-M small molecule compound
1-(azepan-1-yl)-2-{[5-(4-bromophenyl)-1,3,4-oxadiazol-2-yl]sulfanyl}ethanone
Catalog ID
STK205354
SMILES O=C(N1CCCCCC1)CSc1nnc(o1)c1ccc(cc1)Br
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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 C16H18BrN3O2S MW 396.31 g/mol Purity >90% as per NMR
InChI
InChI=1S/C16H18BrN3O2S/c17-13-7-5-12(6-8-13)15-18-19-16(22-15)23-11-14(21)20-9-3-1-2-4-10-20/h5-8H,1-4,9-11H2InChIKey
FUSOAGSYJFVZIK-UHFFFAOYSA-NSynonyms
1(((5(4BROMOPHENYL)134OXADIAZOL2YL)SULFANYL)ACETYL)AZEPANE
1(AZEPAN1YL)2((5(4BROMOPHENYL)134OXADIAZOL2YL)SULFANYL)ETHANONE
C1CCCN(CC1)C(=O)CSC2=NN=C(O2)C3=CC=C(C=C3)Br
InChI=1SC16H18BrN3O2Sc17137512(6813)15181916(2215)231114(21)20931241020h58H14911H2
MFCD04214293
ZINC000001129231
ZINC01129231
ZINC1129231
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