Vitas-M small molecule compound

tert-butyl [2-(1H-indol-3-yl)-1-{5-[(2-methylprop-2-en-1-yl)sulfanyl]-1,3,4-oxadiazol-2-yl}ethyl]carbamate

Catalog ID
STL238700
SMILES CC(=C)CSc1nnc(o1)C(Cc1c[nH]c2c1cccc2)NC(=O)OC(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 C21H26N4O3S MW 414.53 g/mol Purity >90% as per NMR
InChI
InChI=1S/C21H26N4O3S/c1-13(2)12-29-20-25-24-18(27-20)17(23-19(26)28-21(3,4)5)10-14-11-22-16-9-7-6-8-15(14)16/h6-9,11,17,22H,1,10,12H2,2-5H3,(H,23,26)
InChIKey
UVDHFWAPNKXUHB-UHFFFAOYSA-N
Synonyms

(S)tertbutyl(2(1Hindol3yl)1(5((2methylallyl)thio)134oxadiazol2yl)ethyl)carbamate
CC(=C)CSC1=NN=C(O1)C(CC2=CNC3=CC=CC=C32)NC(=O)OC(C)(C)C
CC(=C)CSc1nnc(o1)(C@H)(Cc1c(nH)c2c1cccc2)NC(=O)OC(C)(C)C
CC(=C)CSc1nnc(o1)C(Cc1c(nH)c2c1cccc2)NC(=O)OC(C)(C)C
InChI=1SC21H26N4O3Sc113(2)122920252418(2720)17(2319(26)2821(34)5)1014112216976815(14)16h69111722H11012H225H3(H2326)
MFCD24858837
TERTBUTYL((1S)2(1HINDOL3YL)1(5((2METHYLPROP2EN1YL)SULFANYL)134OXADIAZOL2YL)ETHYL)CARBAMATE
tertbutyl(2(1Hindol3yl)1(5((2methylprop2en1yl)sulfanyl)134oxadiazol2yl)ethyl)carbamate
TERTBUTYLN(2(1HINDOL3YL)1(5(2METHYLPROP2ENYLSULFANYL)134OXADIAZOL2YL)ETHYL)CARBAMATE
ZINC000002369360
ZINC000006761260

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Available files

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