Vitas-M small molecule compound

tert-butyl [(1S)-1-{5-[(4-methylbenzyl)sulfanyl]-1,3,4-oxadiazol-2-yl}-2-phenylethyl]carbamate

Catalog ID
STK632102
SMILES O=C(OC(C)(C)C)N[C@H](c1nnc(o1)SCc1ccc(cc1)C)Cc1ccccc1

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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 C23H27N3O3S MW 425.55 g/mol Purity >90% as per NMR
InChI
InChI=1S/C23H27N3O3S/c1-16-10-12-18(13-11-16)15-30-22-26-25-20(28-22)19(14-17-8-6-5-7-9-17)24-21(27)29-23(2,3)4/h5-13,19H,14-15H2,1-4H3,(H,24,27)/t19-/m0/s1
InChIKey
DKUHTRBYTVRERG-IBGZPJMESA-N
Synonyms
1173669-51-6
(S)tertbutyl(1(5((4methylbenzyl)thio)134oxadiazol2yl)2phenylethyl)carbamate
1173669516
CC1=CC=C(C=C1)CSC2=NN=C(O2)C(CC3=CC=CC=C3)NC(=O)OC(C)(C)C
InChI=1SC23H27N3O3Sc116101218(131116)153022262520(2822)19(14178657917)2421(27)2923(23)4h51319H1415H214H3(H2427)t19m0s1
MFCD04020762
O=C(OC(C)(C)C)N(C@H)(c1nnc(o1)SCc1ccc(cc1)C)Cc1ccccc1
tertbutyl((1S)1(5((4methylbenzyl)sulfanyl)134oxadiazol2yl)2phenylethyl)carbamate
TERTBUTYLN((1S)1(5((4METHYLPHENYL)METHYLSULFANYL)134OXADIAZOL2YL)2PHENYLETHYL)CARBAMATE
ZINC000002220997
ZINC02220997
ZINC2220997

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Available files

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