Vitas-M small molecule compound
tert-butyl 2-{5-[(2,5-dimethylbenzyl)sulfanyl]-1,3,4-oxadiazol-2-yl}pyrrolidine-1-carboxylate
Catalog ID
STL348489
SMILES Cc1ccc(c(c1)CSc1nnc(o1)C1CCCN1C(=O)OC(C)(C)C)C
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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 C20H27N3O3S MW 389.52 g/mol Purity >90% as per NMR
InChI
InChI=1S/C20H27N3O3S/c1-13-8-9-14(2)15(11-13)12-27-18-22-21-17(25-18)16-7-6-10-23(16)19(24)26-20(3,4)5/h8-9,11,16H,6-7,10,12H2,1-5H3InChIKey
CEMZBFRVZPLWCM-UHFFFAOYSA-NSynonyms
(S)tertbutyl2(5((25dimethylbenzyl)thio)134oxadiazol2yl)pyrrolidine1carboxylate
CC1=CC(=C(C=C1)C)CSC2=NN=C(O2)C3CCCN3C(=O)OC(C)(C)C
Cc1ccc(c(c1)CSc1nnc(o1)(C@@H)1CCCN1C(=O)OC(C)(C)C)C
InChI=1SC20H27N3O3Sc1138914(2)15(1113)122718222117(2518)16761023(16)19(24)2620(34)5h891116H671012H215H3
MFCD28032584
tertbutyl2(5((25dimethylbenzyl)sulfanyl)134oxadiazol2yl)pyrrolidine1carboxylate
TERTBUTYL2(5((25DIMETHYLPHENYL)METHYLSULFANYL)134OXADIAZOL2YL)PYRROLIDINE1CARBOXYLATE
ZINC000005501362
ZINC000006426291
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