Vitas-M small molecule compound

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

Catalog ID
STK120910
SMILES Cc1ccc(cc1)C(=O)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/c1-14-4-6-16(7-5-14)19(24)27-12-2-3-13-29-20-22-21-18(28-20)15-8-10-17(11-9-15)23(25)26/h4-11H,12-13H2,1H3
InChIKey
BNMHSVHYMZPUNY-UHFFFAOYSA-N
Synonyms
669716-21-6
4((5(4NITROPHENYL)134OXADIAZOL2YL)SULFANYL)BUT2YN1YL4METHYLBENZOATE
4((5(4NITROPHENYL)134OXADIAZOL2YL)SULFANYL)BUT2YNYL4METHYLBENZOATE
4((5(4nitrophenyl)134oxadiazol2yl)thio)but2yn1yl4methylbenzoate
669716216
CC1=CC=C(C=C1)C(=O)OCC#CCSC2=NN=C(O2)C3=CC=C(C=C3)(N+)(=O)(O)
Cc1ccc(cc1)C(=O)OCC#CCSc1nnc(o1)c1ccc(cc1)(N+)(=O)(O)
InChI=1SC20H15N3O5Sc1144616(7514)19(24)271223132920222118(2820)1581017(11915)23(25)26h411H1213H21H3
MFCD04005475
ZINC000001862997
ZINC01862997
ZINC1862997

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Available files

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