Vitas-M small molecule compound

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

Catalog ID
STK418411
SMILES CCCOC(=O)c1c(NC(=O)C2CC3CC2CC3)sc2c1CCC(C2)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 C21H29NO3S MW 375.53 g/mol Purity >90% as per NMR
InChI
InChI=1S/C21H29NO3S/c1-3-8-25-21(24)18-15-7-4-12(2)9-17(15)26-20(18)22-19(23)16-11-13-5-6-14(16)10-13/h12-14,16H,3-11H2,1-2H3,(H,22,23)
InChIKey
ZBULIMFQRZMOJA-UHFFFAOYSA-N
Synonyms

CCCOC(=O)C1=C(SC2=C1CCC(C2)C)NC(=O)C3CC4CCC3C4
InChI=1SC21H29NO3Sc1382521(24)18157412(2)917(15)2620(18)2219(23)1611135614(16)1013h121416H311H212H3(H2223)
MFCD01920666
propyl2((bicyclo(221)hept2ylcarbonyl)amino)6methyl4567tetrahydro1benzothiophene3carboxylate
propyl2(bicyclo(221)heptane3carbonylamino)6methyl4567tetrahydro1benzothiophene3carboxylate
ZINC000102618059
ZINC000136620388

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Available files

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