Vitas-M small molecule compound
tert-butyl [2-methyl-1-(5-{[(2E)-3-phenylprop-2-en-1-yl]sulfanyl}-1,3,4-oxadiazol-2-yl)butyl]carbamate
Catalog ID
STL241267
SMILES CCC(C(c1nnc(o1)SC/C=C/c1ccccc1)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 C21H29N3O3S MW 403.55 g/mol Purity >90% as per NMR
InChI
InChI=1S/C21H29N3O3S/c1-6-15(2)17(22-19(25)27-21(3,4)5)18-23-24-20(26-18)28-14-10-13-16-11-8-7-9-12-16/h7-13,15,17H,6,14H2,1-5H3,(H,22,25)/b13-10+InChIKey
YEGQVJSGHRYIDS-JLHYYAGUSA-NSynonyms
CCC((C@@H)(c1nnc(o1)SCC=Cc1ccccc1)NC(=O)OC(C)(C)C)C
CCC(C(c1nnc(o1)SCC=Cc1ccccc1)NC(=O)OC(C)(C)C)C
CCC(C)C(C1=NN=C(O1)SCC=CC2=CC=CC=C2)NC(=O)OC(C)(C)C
InChI=1SC21H29N3O3Sc1615(2)17(2219(25)2721(34)5)18232420(2618)2814101316118791216h7131517H614H215H3(H2225)b1310+
MFCD24859083
tertbutyl((1S2R)1(5(cinnamylthio)134oxadiazol2yl)2methylbutyl)carbamate
tertbutyl(2methyl1(5(((2E)3phenylprop2en1yl)sulfanyl)134oxadiazol2yl)butyl)carbamate
tertbutylN(2methyl1(5((E)3phenylprop2enyl)sulfanyl134oxadiazol2yl)butyl)carbamate
ZINC000002388026
ZINC000015987283
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