Vitas-M small molecule compound
(5E)-6-methyl-8-(2,5,5,8a-tetramethyl-1,4,4a,5,6,7,8,8a-octahydronaphthalen-1-yl)oct-5-en-2-yl phenylcarbamate
Catalog ID
STL560836
SMILES CC(OC(=O)Nc1ccccc1)CC/C=C(/CCC1C(=CCC2C1(C)CCCC2(C)C)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 C30H45NO2 MW 451.69 g/mol Purity >90% as per NMR
InChI
InChI=1S/C30H45NO2/c1-22(12-10-13-24(3)33-28(32)31-25-14-8-7-9-15-25)16-18-26-23(2)17-19-27-29(4,5)20-11-21-30(26,27)6/h7-9,12,14-15,17,24,26-27H,10-11,13,16,18-21H2,1-6H3,(H,31,32)/b22-12+InChIKey
YELQRGZMVJTXOF-WSDLNYQXSA-NSynonyms
((E)8(2558atetramethyl144a678hexahydronaphthalen1yl)6methyloct5en2yl)Nphenylcarbamate
(5E)6methyl8(2558atetramethyl144a56788aoctahydronaphthalen1yl)oct5en2ylphenylcarbamate
(E)6methyl8((8aS)2558atetramethyl144a56788aoctahydronaphthalen1yl)oct5en2ylphenylcarbamate
5929303
CC(OC(=O)Nc1ccccc1)CCC=C(CCC1C(=CCC2(C@)1(C)CCCC2(C)C)C)C
InChI=1SC30H45NO2c122(12101324(3)3328(32)3125148791525)16182623(2)17192729(45)20112130(2627)6h7912141517242627H101113161821H216H3(H3132)b2212+
MFCD01451133
ZINC000008740204
ZINC000012657571
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