Vitas-M small molecule compound

methyl 2-[(bicyclo[2.2.1]hept-2-ylcarbonyl)amino]-6-tert-butyl-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate

Catalog ID
STK418385
SMILES COC(=O)c1c(NC(=O)C2CC3CC2CC3)sc2c1CCC(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 C22H31NO3S MW 389.56 g/mol Purity >90% as per NMR
InChI
InChI=1S/C22H31NO3S/c1-22(2,3)14-7-8-15-17(11-14)27-20(18(15)21(25)26-4)23-19(24)16-10-12-5-6-13(16)9-12/h12-14,16H,5-11H2,1-4H3,(H,23,24)
InChIKey
BZALCZFYPHRMAQ-UHFFFAOYSA-N
Synonyms
1005111-58-9
1005111589
CC(C)(C)C1CCC2=C(C1)SC(=C2C(=O)OC)NC(=O)C3CC4CCC3C4
InChI=1SC22H31NO3Sc122(23)14781517(1114)2720(18(15)21(25)264)2319(24)1610125613(16)912h121416H511H214H3(H2324)
methyl2((bicyclo(221)hept2ylcarbonyl)amino)6tertbutyl4567tetrahydro1benzothiophene3carboxylate
methyl2(bicyclo(221)heptane3carbonylamino)6tertbutyl4567tetrahydro1benzothiophene3carboxylate
MFCD01920631
ZINC000102624833
ZINC000239284735

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Available files

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