Vitas-M small molecule compound

4-{[5-(4-nitrophenyl)-1,3,4-oxadiazol-2-yl]sulfanyl}but-2-yn-1-yl 2-methylbenzoate

Catalog ID
STK177494
SMILES O=C(c1ccccc1C)OCC#CCSc1nnc(o1)c1ccc(cc1)[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 C20H15N3O5S MW 409.42 g/mol Purity >90% as per NMR
InChI
InChI=1S/C20H15N3O5S/c1-14-6-2-3-7-17(14)19(24)27-12-4-5-13-29-20-22-21-18(28-20)15-8-10-16(11-9-15)23(25)26/h2-3,6-11H,12-13H2,1H3
InChIKey
JFKBMRISIDUDME-UHFFFAOYSA-N
Synonyms
669716-14-7
4((5(4NITROPHENYL)134OXADIAZOL2YL)SULFANYL)BUT2YN1YL2METHYLBENZOATE
4((5(4NITROPHENYL)134OXADIAZOL2YL)SULFANYL)BUT2YNYL2METHYLBENZOATE
4((5(4nitrophenyl)134oxadiazol2yl)thio)but2yn1yl2methylbenzoate
669716147
CC1=CC=CC=C1C(=O)OCC#CCSC2=NN=C(O2)C3=CC=C(C=C3)(N+)(=O)(O)
InChI=1SC20H15N3O5Sc114623717(14)19(24)271245132920222118(2820)1581016(11915)23(25)26h23611H1213H21H3
MFCD03680215
O=C(c1ccccc1C)OCC#CCSc1nnc(o1)c1ccc(cc1)(N+)(=O)(O)
ZINC000002231153
ZINC02231153
ZINC2231153

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Available files

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