Vitas-M small molecule compound
[2-Methyl-1-(5-p-tolylmethanesulfonyl-[1,3,4]oxadiazol-2-yl)-butyl]-carbamic acid tert-butyl ester
Catalog ID
STK599329
SMILES CCC([C@@H](c1nnc(o1)S(=O)(=O)Cc1ccc(cc1)C)NC(=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 C20H29N3O5S MW 423.53 g/mol Purity >90% as per NMR
InChI
InChI=1S/C20H29N3O5S/c1-7-14(3)16(21-18(24)28-20(4,5)6)17-22-23-19(27-17)29(25,26)12-15-10-8-13(2)9-11-15/h8-11,14,16H,7,12H2,1-6H3,(H,21,24)/t14?,16-/m0/s1InChIKey
FJMQVHWTKOAZRQ-WMCAAGNKSA-NSynonyms
1173667-90-71173667907
CCC((C@@H)(c1nnc(o1)S(=O)(=O)Cc1ccc(cc1)C)NC(=O)OC(C)(C)C)C
CCC(C)C(C1=NN=C(O1)S(=O)(=O)CC2=CC=C(C=C2)C)NC(=O)OC(C)(C)C
InChI=1SC20H29N3O5Sc1714(3)16(2118(24)2820(45)6)17222319(2717)29(2526)121510813(2)91115h8111416H712H216H3(H2124)t14?16m0s1
MFCD06606440
tertbutyl((1S2R)2methyl1(5((4methylbenzyl)sulfonyl)134oxadiazol2yl)butyl)carbamate
tertbutylN((1S)2methyl1(5((4methylphenyl)methylsulfonyl)134oxadiazol2yl)butyl)carbamate
ZINC000002328425
ZINC000013540296
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