Vitas-M small molecule compound

6-tert-butyl-2-[(tricyclo[3.3.1.1~3,7~]dec-1-ylacetyl)amino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxamide

Catalog ID
STK240888
SMILES O=C(CC12CC3CC(C2)CC(C1)C3)Nc1sc2c(c1C(=O)N)CCC(C2)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 C25H36N2O2S MW 428.64 g/mol Purity >90% as per NMR
InChI
InChI=1S/C25H36N2O2S/c1-24(2,3)17-4-5-18-19(9-17)30-23(21(18)22(26)29)27-20(28)13-25-10-14-6-15(11-25)8-16(7-14)12-25/h14-17H,4-13H2,1-3H3,(H2,26,29)(H,27,28)
InChIKey
MGAFFLFGHINHSN-UHFFFAOYSA-N
Synonyms

2((2(1adamantyl)acetyl)amino)6tertbutyl4567tetrahydro1benzothiophene3carboxamide
6tertbutyl2((tricyclo(3311~37~)dec1ylacetyl)amino)4567tetrahydro1benzothiophene3carboxamide
CC(C)(C)C1CCC2=C(C1)SC(=C2C(=O)N)NC(=O)CC34CC5CC(C3)CC(C5)C4
InChI=1SC25H36N2O2Sc124(23)17451819(917)3023(21(18)22(26)29)2720(28)13251014615(1125)816(714)1225h1417H413H213H3(H22629)(H2728)
MFCD05795147
ZINC000009226644
ZINC000009226647

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Available files

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