Vitas-M small molecule compound

[4-(4-methoxyphenyl)-6,8,9-trimethyl-3-oxabicyclo[3.3.1]non-6-en-1-yl]methyl phenylcarbamate

Catalog ID
STK028947
SMILES COc1ccc(cc1)C1OCC2(C(C1C(=CC2C)C)C)COC(=O)Nc1ccccc1

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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 C26H31NO4 MW 421.54 g/mol Purity >90% as per NMR
InChI
InChI=1S/C26H31NO4/c1-17-14-18(2)26(16-31-25(28)27-21-8-6-5-7-9-21)15-30-24(23(17)19(26)3)20-10-12-22(29-4)13-11-20/h5-14,18-19,23-24H,15-16H2,1-4H3,(H,27,28)
InChIKey
OGCHLIHOPGTPPY-UHFFFAOYSA-N
Synonyms

((1R9R)4(4methoxyphenyl)689trimethyl3oxabicyclo(331)non6en1yl)methylphenylcarbamate
((4(4METHOXYPHENYL)689TRIMETHYL3OXABICYCLO(331)NON6ENYL)METHOXY)NBENZAMIDE
(4(4METHOXYPHENYL)689TRIMETHYL3OXABICYCLO(331)NON6EN1YL)METHYLNPHENYLCARBAMATE
(4(4METHOXYPHENYL)689TRIMETHYL3OXABICYCLO(331)NON6EN1YL)METHYLPHENYLCARBAMATE
(8(4METHOXYPHENYL)249TRIMETHYL7OXABICYCLO(331)NON2EN5YL)METHYLNPHENYLCARBAMATE
CC1C=C(C2C(C1(COC2C3=CC=C(C=C3)OC)COC(=O)NC4=CC=CC=C4)C)C
COc1ccc(cc1)C1OC(C@@)2((C@@H)(C1C(=CC2C)C)C)COC(=O)Nc1ccccc1
COc1ccc(cc1)C1OCC2(C(C1C(=CC2C)C)C)COC(=O)Nc1ccccc1
InChI=1SC26H31NO4c1171418(2)26(163125(28)27218657921)153024(23(17)19(26)3)20101222(294)131120h51418192324H1516H214H3(H2728)
MFCD01118038
STK028947
ZINC000100741796
ZINC000138975888

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Available files

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