Vitas-M small molecule compound

N-[(1S,2S,4R)-bicyclo[2.2.1]hept-2-yl]-3,4-dimethoxybenzamide

Catalog ID
STL121106
SMILES COc1cc(ccc1OC)C(=O)N[C@H]1C[C@@H]2C[C@H]1CC2

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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 C16H21NO3 MW 275.35 g/mol Purity >90% as per NMR
InChI
InChI=1S/C16H21NO3/c1-19-14-6-5-12(9-15(14)20-2)16(18)17-13-8-10-3-4-11(13)7-10/h5-6,9-11,13H,3-4,7-8H2,1-2H3,(H,17,18)/t10-,11+,13+/m1/s1
InChIKey
UPAZPHMIQHWIQI-MDZLAQPJSA-N
Synonyms

COC1=C(C=C(C=C1)C(=O)NC2CC3CCC2C3)OC
COc1cc(ccc1OC)C(=O)N(C@H)1C(C@@H)2C(C@H)1CC2
InChI=1SC16H21NO3c119146512(915(14)202)16(18)17138103411(13)710h5691113H3478H212H3(H1718)t1011+13m0s1
MFCD20731966
N((1S2S4R)bicyclo(221)hept2yl)34dimethoxybenzamide
N((1S3S4R)3bicyclo(221)heptanyl)34dimethoxybenzamide
ZINC000000452070
ZINC05102865
ZINC5102865

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Available files

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