Vitas-M small molecule compound
3,5,5-trimethyl-8-methylidene-1,2,4,5,6,7,8,8a-octahydroazulen-6-yl phenylcarbamate
Catalog ID
STK052273
SMILES O=C(Nc1ccccc1)OC1CC(=C)C2C(=C(CC2)C)CC1(C)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 C21H27NO2 MW 325.45 g/mol Purity >90% as per NMR
InChI
InChI=1S/C21H27NO2/c1-14-10-11-17-15(2)12-19(21(3,4)13-18(14)17)24-20(23)22-16-8-6-5-7-9-16/h5-9,17,19H,2,10-13H2,1,3-4H3,(H,22,23)InChIKey
DDIANFAJRRTYHK-UHFFFAOYSA-NSynonyms
351437-51-9(355trimethyl8methylidene124678ahexahydroazulen6yl)Nphenylcarbamate
351437519
355trimethyl8methylidene12456788aoctahydroazulen6ylphenylcarbamate
CC1=C2CC(C(CC(=C)C2CC1)OC(=O)NC3=CC=CC=C3)(C)C
InChI=1SC21H27NO2c11410111715(2)1219(21(34)1318(14)17)2420(23)22168657916h591719H21013H2134H3(H2223)
MFCD02029800
O=C(Nc1ccccc1)OC1CC(=C)C2C(=C(CC2)C)CC1(C)C
STK052273
ZINC000005791602
ZINC000005791606
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