Vitas-M small molecule compound

tert-butyl {1-[5-({2-[(3-chloro-2-methylphenyl)amino]-2-oxoethyl}sulfanyl)-1,3,4-oxadiazol-2-yl]-2-(1H-indol-3-yl)ethyl}carbamate

Catalog ID
STL234855
SMILES O=C(OC(C)(C)C)NC(c1nnc(o1)SCC(=O)Nc1cccc(c1C)Cl)Cc1c[nH]c2c1cccc2

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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 C26H28ClN5O4S MW 542.06 g/mol Purity >90% as per NMR
InChI
InChI=1S/C26H28ClN5O4S/c1-15-18(27)9-7-11-19(15)29-22(33)14-37-25-32-31-23(35-25)21(30-24(34)36-26(2,3)4)12-16-13-28-20-10-6-5-8-17(16)20/h5-11,13,21,28H,12,14H2,1-4H3,(H,29,33)(H,30,34)
InChIKey
QTRQKHHKJRFVNK-UHFFFAOYSA-N
Synonyms

(S)tertbutyl(1(5((2((3chloro2methylphenyl)amino)2oxoethyl)thio)134oxadiazol2yl)2(1Hindol3yl)ethyl)carbamate
CC1=C(C=CC=C1Cl)NC(=O)CSC2=NN=C(O2)C(CC3=CNC4=CC=CC=C43)NC(=O)OC(C)(C)C
InChI=1SC26H28ClN5O4Sc11518(27)971119(15)2922(33)143725323123(3525)21(3024(34)3626(23)4)12161328201065817(16)20h511132128H1214H214H3(H2933)(H3034)
MFCD24858478
O=C(OC(C)(C)C)N(C@H)(c1nnc(o1)SCC(=O)Nc1cccc(c1C)Cl)Cc1c(nH)c2c1cccc2
O=C(OC(C)(C)C)NC(c1nnc(o1)SCC(=O)Nc1cccc(c1C)Cl)Cc1c(nH)c2c1cccc2
tertbutyl(1(5((2((3chloro2methylphenyl)amino)2oxoethyl)sulfanyl)134oxadiazol2yl)2(1Hindol3yl)ethyl)carbamate
TERTBUTYLN(1(5(2(3CHLORO2METHYLANILINO)2OXOETHYL)SULFANYL134OXADIAZOL2YL)2(1HINDOL3YL)ETHYL)CARBAMATE
ZINC000101042207
ZINC000101344295

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Available files

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