Vitas-M small molecule compound

tert-butyl {(1S)-1-[5-({2-[(3-chloro-2-methylphenyl)amino]-2-oxoethyl}sulfonyl)-1,3,4-oxadiazol-2-yl]-3-methylbutyl}carbamate

Catalog ID
STK580182
SMILES CC(C[C@@H](c1nnc(o1)S(=O)(=O)CC(=O)Nc1cccc(c1C)Cl)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 C21H29ClN4O6S MW 501.00 g/mol Purity >90% as per NMR
InChI
InChI=1S/C21H29ClN4O6S/c1-12(2)10-16(24-19(28)32-21(4,5)6)18-25-26-20(31-18)33(29,30)11-17(27)23-15-9-7-8-14(22)13(15)3/h7-9,12,16H,10-11H2,1-6H3,(H,23,27)(H,24,28)/t16-/m0/s1
InChIKey
OMAKHGDJSOYIBF-INIZCTEOSA-N
Synonyms
1173684-77-9
(S)tertbutyl(1(5((2((3chloro2methylphenyl)amino)2oxoethyl)sulfonyl)134oxadiazol2yl)3methylbutyl)carbamate
1173684779
CC(C(C@@H)(c1nnc(o1)S(=O)(=O)CC(=O)Nc1cccc(c1C)Cl)NC(=O)OC(C)(C)C)C
CC1=C(C=CC=C1Cl)NC(=O)CS(=O)(=O)C2=NN=C(O2)C(CC(C)C)NC(=O)OC(C)(C)C
InChI=1SC21H29ClN4O6Sc112(2)1016(2419(28)3221(45)6)18252620(3118)33(2930)1117(27)231597814(22)13(15)3h791216H1011H216H3(H2327)(H2428)t16m0s1
MFCD06608592
tertbutyl((1S)1(5((2((3chloro2methylphenyl)amino)2oxoethyl)sulfonyl)134oxadiazol2yl)3methylbutyl)carbamate
TERTBUTYLN((1S)1(5(2(3CHLORO2METHYLANILINO)2OXOETHYL)SULFONYL134OXADIAZOL2YL)3METHYLBUTYL)CARBAMATE
ZINC000002340513
ZINC02340513
ZINC2340513

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Available files

Download the SDF, MOL, 3D structure and SDS documents from Vitas-M.