Vitas-M small molecule compound

tert-butyl {1-[5-({2-[(4-bromophenyl)amino]-2-oxoethyl}sulfanyl)-1,3,4-oxadiazol-2-yl]-2-methylbutyl}carbamate

Catalog ID
STL241051
SMILES CCC(C(c1nnc(o1)SCC(=O)Nc1ccc(cc1)Br)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 C20H27BrN4O4S MW 499.43 g/mol Purity >90% as per NMR
InChI
InChI=1S/C20H27BrN4O4S/c1-6-12(2)16(23-18(27)29-20(3,4)5)17-24-25-19(28-17)30-11-15(26)22-14-9-7-13(21)8-10-14/h7-10,12,16H,6,11H2,1-5H3,(H,22,26)(H,23,27)
InChIKey
AXINUMMHRTZAJP-UHFFFAOYSA-N
Synonyms

CCC((C@@H)(c1nnc(o1)SCC(=O)Nc1ccc(cc1)Br)NC(=O)OC(C)(C)C)C
CCC(C)C(C1=NN=C(O1)SCC(=O)NC2=CC=C(C=C2)Br)NC(=O)OC(C)(C)C
InChI=1SC20H27BrN4O4Sc1612(2)16(2318(27)2920(34)5)17242519(2817)301115(26)22149713(21)81014h7101216H611H215H3(H2226)(H2327)
MFCD24859062
tertbutyl((1S2R)1(5((2((4bromophenyl)amino)2oxoethyl)thio)134oxadiazol2yl)2methylbutyl)carbamate
tertbutyl(1(5((2((4bromophenyl)amino)2oxoethyl)sulfanyl)134oxadiazol2yl)2methylbutyl)carbamate
TERTBUTYLN(1(5(2(4BROMOANILINO)2OXOETHYL)SULFANYL134OXADIAZOL2YL)2METHYLBUTYL)CARBAMATE
ZINC000002366459
ZINC000015987011

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Available files

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