Vitas-M small molecule compound

3-{[3-(methoxycarbonyl)-6-methyl-4,5,6,7-tetrahydro-1-benzothiophen-2-yl]carbamoyl}bicyclo[2.2.1]heptane-2-carboxylic acid

Catalog ID
STK445927
SMILES COC(=O)c1c(NC(=O)C2C3CCC(C2C(=O)O)C3)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 C20H25NO5S MW 391.49 g/mol Purity >90% as per NMR
InChI
InChI=1S/C20H25NO5S/c1-9-3-6-12-13(7-9)27-18(16(12)20(25)26-2)21-17(22)14-10-4-5-11(8-10)15(14)19(23)24/h9-11,14-15H,3-8H2,1-2H3,(H,21,22)(H,23,24)
InChIKey
CMDLVPHUZMUYLX-UHFFFAOYSA-N
Synonyms

2((3methoxycarbonyl6methyl4567tetrahydro1benzothiophen2yl)carbamoyl)bicyclo(221)heptane3carboxylicacid
3((3(methoxycarbonyl)6methyl4567tetrahydro1benzothiophen2yl)carbamoyl)bicyclo(221)heptane2carboxylicacid
CC1CCC2=C(C1)SC(=C2C(=O)OC)NC(=O)C3C4CCC(C4)C3C(=O)O
InChI=1SC20H25NO5Sc19361213(79)2718(16(12)20(25)262)2117(22)14104511(810)15(14)19(23)24h9111415H38H212H3(H2122)(H2324)
MFCD04056002
ZINC000225688973
ZINC000239030868

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Available files

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