Vitas-M small molecule compound

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

Catalog ID
STL235609
SMILES O=C(OC(C)(C)C)NC(c1nnc(o1)SCc1cc(C)ccc1C)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 C26H30N4O3S MW 478.62 g/mol Purity >90% as per NMR
InChI
InChI=1S/C26H30N4O3S/c1-16-10-11-17(2)19(12-16)15-34-25-30-29-23(32-25)22(28-24(31)33-26(3,4)5)13-18-14-27-21-9-7-6-8-20(18)21/h6-12,14,22,27H,13,15H2,1-5H3,(H,28,31)
InChIKey
FWKVEPYSPIVFMT-UHFFFAOYSA-N
Synonyms

(S)tertbutyl(1(5((25dimethylbenzyl)thio)134oxadiazol2yl)2(1Hindol3yl)ethyl)carbamate
CC1=CC(=C(C=C1)C)CSC2=NN=C(O2)C(CC3=CNC4=CC=CC=C43)NC(=O)OC(C)(C)C
InChI=1SC26H30N4O3Sc116101117(2)19(1216)153425302923(3225)22(2824(31)3326(34)5)1318142721976820(18)21h612142227H1315H215H3(H2831)
MFCD24858554
O=C(OC(C)(C)C)N(C@H)(c1nnc(o1)SCc1cc(C)ccc1C)Cc1c(nH)c2c1cccc2
O=C(OC(C)(C)C)NC(c1nnc(o1)SCc1cc(C)ccc1C)Cc1c(nH)c2c1cccc2
tertbutyl(1(5((25dimethylbenzyl)sulfanyl)134oxadiazol2yl)2(1Hindol3yl)ethyl)carbamate
TERTBUTYLN(1(5((25DIMETHYLPHENYL)METHYLSULFANYL)134OXADIAZOL2YL)2(1HINDOL3YL)ETHYL)CARBAMATE
ZINC000003883016
ZINC000027407293

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Available files

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