Vitas-M small molecule compound
5-{[5-(naphthalen-1-yl)-1,3,4-oxadiazol-2-yl]sulfanyl}-1-(4-nitrophenyl)pent-3-yn-1-one
Catalog ID
STK208698
SMILES O=C(c1ccc(cc1)[N+](=O)[O-])CC#CCSc1nnc(o1)c1cccc2c1cccc2
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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 C23H15N3O4S MW 429.46 g/mol Purity >90% as per NMR
InChI
InChI=1S/C23H15N3O4S/c27-21(17-11-13-18(14-12-17)26(28)29)10-3-4-15-31-23-25-24-22(30-23)20-9-5-7-16-6-1-2-8-19(16)20/h1-2,5-9,11-14H,10,15H2InChIKey
KGTSMVUHXKZJHA-UHFFFAOYSA-NSynonyms
5((5(NAPHTHALEN1YL)134OXADIAZOL2YL)SULFANYL)1(4NITROPHENYL)PENT3YN1ONE
5((5naphthalen1yl134oxadiazol2yl)sulfanyl)1(4nitrophenyl)pent3yn1one
C1=CC=C2C(=C1)C=CC=C2C3=NN=C(O3)SCC#CCC(=O)C4=CC=C(C=C4)(N+)(=O)(O)
InChI=1SC23H15N3O4Sc2721(17111318(141217)26(28)29)1034153123252422(3023)2095716612819(16)20h12591114H1015H2
MFCD06193743
O=C(c1ccc(cc1)(N+)(=O)(O))CC#CCSc1nnc(o1)c1cccc2c1cccc2
ZINC000010034869
ZINC10034869
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