Vitas-M small molecule compound
4-{[5-(4-bromophenyl)-1,3,4-oxadiazol-2-yl]sulfanyl}but-2-yn-1-yl 3-nitrobenzoate
Catalog ID
STK177412
SMILES Brc1ccc(cc1)c1nnc(o1)SCC#CCOC(=O)c1cccc(c1)[N+](=O)[O-]
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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 C19H12BrN3O5S MW 474.29 g/mol Purity >90% as per NMR
InChI
InChI=1S/C19H12BrN3O5S/c20-15-8-6-13(7-9-15)17-21-22-19(28-17)29-11-2-1-10-27-18(24)14-4-3-5-16(12-14)23(25)26/h3-9,12H,10-11H2InChIKey
BJMQOAZTAFDFRJ-UHFFFAOYSA-NSynonyms
4((5(4BROMOPHENYL)134OXADIAZOL2YL)SULFANYL)BUT2YN1YL3NITROBENZOATE
4((5(4BROMOPHENYL)134OXADIAZOL2YL)SULFANYL)BUT2YNYL3NITROBENZOATE
Brc1ccc(cc1)c1nnc(o1)SCC#CCOC(=O)c1cccc(c1)(N+)(=O)(O)
C1=CC(=CC(=C1)(N+)(=O)(O))C(=O)OCC#CCSC2=NN=C(O2)C3=CC=C(C=C3)Br
InChI=1SC19H12BrN3O5Sc20158613(7915)17212219(2817)291121102718(24)1443516(1214)23(25)26h3912H1011H2
MFCD03248471
ZINC000002815103
ZINC02815103
ZINC2815103
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