Vitas-M small molecule compound

3,3'-tricyclo[3.3.1.1~3,7~]decane-1,3-diylbis[N-(diphenylmethyl)-6-methoxybenzamide]

Catalog ID
STK272270
SMILES COc1ccc(cc1C(=O)NC(c1ccccc1)c1ccccc1)C12CC3CC(C1)CC(C2)(C3)c1ccc(c(c1)C(=O)NC(c1ccccc1)c1ccccc1)OC

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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 C52H50N2O4 MW 766.98 g/mol Purity >90% as per NMR
InChI
InChI=1S/C52H50N2O4/c1-57-45-25-23-41(28-43(45)49(55)53-47(37-15-7-3-8-16-37)38-17-9-4-10-18-38)51-30-35-27-36(31-51)33-52(32-35,34-51)42-24-26-46(58-2)44(29-42)50(56)54-48(39-19-11-5-12-20-39)40-21-13-6-14-22-40/h3-26,28-29,35-36,47-48H,27,30-34H2,1-2H3,
InChIKey
SJNBILDKYFUTHM-UHFFFAOYSA-N
Synonyms

33tricyclo(3311~37~)decane13diylbis(N(diphenylmethyl)6methoxybenzamide)
COC1=C(C=C(C=C1)C23CC4CC(C2)CC(C4)(C3)C5=CC(=C(C=C5)OC)C(=O)NC(C6=CC=CC=C6)C7=CC=CC=C7)C(=O)NC(C8=CC=CC=C8)C9=CC=CC=C9
InChI=1SC52H50N2O4c15745252341(2843(45)49(55)5347(37157381637)381794101838)5130352736(3151)3352(32353451)42242646(582)44(2942)50(56)5448(3919115122039)4021136142240h326282935364748H273034H212H3(H5355)(H5456)
MFCD05860678
NBENZHYDRYL5(3(3(BENZHYDRYLCARBAMOYL)4METHOXYPHENYL)1ADAMANTYL)2METHOXYBENZAMIDE
ZINC000098007389
ZINC98007389

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Available files

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