Vitas-M small molecule compound

propan-2-yl 6-methyl-2-[(tricyclo[3.3.1.1~3,7~]dec-1-ylcarbonyl)amino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate

Catalog ID
STK448906
SMILES CC1CCc2c(C1)sc(c2C(=O)OC(C)C)NC(=O)C12CC3CC(C2)CC(C1)C3

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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 C24H33NO3S MW 415.60 g/mol Purity >90% as per NMR
InChI
InChI=1S/C24H33NO3S/c1-13(2)28-22(26)20-18-5-4-14(3)6-19(18)29-21(20)25-23(27)24-10-15-7-16(11-24)9-17(8-15)12-24/h13-17H,4-12H2,1-3H3,(H,25,27)
InChIKey
RUPKGGKKVSEEDL-UHFFFAOYSA-N
Synonyms

CC1CCC2=C(C1)SC(=C2C(=O)OC(C)C)NC(=O)C34CC5CC(C3)CC(C5)C4
InChI=1SC24H33NO3Sc113(2)2822(26)20185414(3)619(18)2921(20)2523(27)241015716(1124)917(815)1224h1317H412H213H3(H2527)
propan2yl2(adamantane1carbonylamino)6methyl4567tetrahydro1benzothiophene3carboxylate
propan2yl6methyl2((tricyclo(3311~37~)dec1ylcarbonyl)amino)4567tetrahydro1benzothiophene3carboxylate
ZINC000005722139
ZINC000005723376

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Available files

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