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)propyl]carbamate
Catalog ID
STL340464
SMILES CC(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 C20H27N3O3S MW 389.52 g/mol Purity >90% as per NMR
InChI
InChI=1S/C20H27N3O3S/c1-14(2)16(21-18(24)26-20(3,4)5)17-22-23-19(25-17)27-13-9-12-15-10-7-6-8-11-15/h6-12,14,16H,13H2,1-5H3,(H,21,24)/b12-9+InChIKey
HUKHLXLWJWNBCV-FMIVXFBMSA-NSynonyms
(SE)tertbutyl(1(5(cinnamylthio)134oxadiazol2yl)2methylpropyl)carbamate
CC((C@@H)(c1nnc(o1)SCC=Cc1ccccc1)NC(=O)OC(C)(C)C)C
CC(C(c1nnc(o1)SCC=Cc1ccccc1)NC(=O)OC(C)(C)C)C
CC(C)C(C1=NN=C(O1)SCC=CC2=CC=CC=C2)NC(=O)OC(C)(C)C
InChI=1SC20H27N3O3Sc114(2)16(2118(24)2620(34)5)17222319(2517)271391215107681115h6121416H13H215H3(H2124)b129+
MFCD28032094
tertbutyl(2methyl1(5(((2E)3phenylprop2en1yl)sulfanyl)134oxadiazol2yl)propyl)carbamate
tertbutylN(2methyl1(5((E)3phenylprop2enyl)sulfanyl134oxadiazol2yl)propyl)carbamate
ZINC000002195530
ZINC000006364994
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