Vitas-M small molecule compound
tert-butyl 2-{5-[(3,4-dichlorobenzyl)sulfanyl]-1,3,4-oxadiazol-2-yl}pyrrolidine-1-carboxylate
Catalog ID
STL234296
SMILES O=C(N1CCCC1c1nnc(o1)SCc1ccc(c(c1)Cl)Cl)OC(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 C18H21Cl2N3O3S MW 430.35 g/mol Purity >90% as per NMR
InChI
InChI=1S/C18H21Cl2N3O3S/c1-18(2,3)26-17(24)23-8-4-5-14(23)15-21-22-16(25-15)27-10-11-6-7-12(19)13(20)9-11/h6-7,9,14H,4-5,8,10H2,1-3H3InChIKey
HCHZRBONHCQDRQ-UHFFFAOYSA-NSynonyms
(S)tertbutyl2(5((34dichlorobenzyl)thio)134oxadiazol2yl)pyrrolidine1carboxylate
CC(C)(C)OC(=O)N1CCCC1C2=NN=C(O2)SCC3=CC(=C(C=C3)Cl)Cl
InChI=1SC18H21Cl2N3O3Sc118(23)2617(24)2384514(23)15212216(2515)2710116712(19)13(20)911h67914H45810H213H3
MFCD24858439
O=C(N1CCC(C@H)1c1nnc(o1)SCc1ccc(c(c1)Cl)Cl)OC(C)(C)C
tertbutyl2(5((34dichlorobenzyl)sulfanyl)134oxadiazol2yl)pyrrolidine1carboxylate
TERTBUTYL2(5((34DICHLOROPHENYL)METHYLSULFANYL)134OXADIAZOL2YL)PYRROLIDINE1CARBOXYLATE
ZINC000002454491
ZINC000008844270
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