Vitas-M small molecule compound

(5E)-7-methyl-5-[(octadecanoyloxy)imino]-5,6,7,8-tetrahydronaphthalen-2-yl octadecanoate

Catalog ID
STK669972
SMILES CCCCCCCCCCCCCCCCCC(=O)O/N=C/1\CC(C)Cc2c1ccc(c2)OC(=O)CCCCCCCCCCCCCCCCC

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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 C47H81NO4 MW 724.16 g/mol Purity >90% as per NMR
InChI
InChI=1S/C47H81NO4/c1-4-6-8-10-12-14-16-18-20-22-24-26-28-30-32-34-46(49)51-43-36-37-44-42(40-43)38-41(3)39-45(44)48-52-47(50)35-33-31-29-27-25-23-21-19-17-15-13-11-9-7-5-2/h36-37,40-41H,4-35,38-39H2,1-3H3/b48-45+
InChIKey
KBACHGQMZYZDIL-YRBWTHCGSA-N
Synonyms

((5E)7methyl5octadecanoyloxyimino78dihydro6Hnaphthalen2yl)octadecanoate
(5E)7methyl5((octadecanoyloxy)imino)5678tetrahydronaphthalen2yloctadecanoate
CCCCCCCCCCCCCCCCCC(=O)OC1=CC2=C(C=C1)C(=NOC(=O)CCCCCCCCCCCCCCCCC)CC(C2)C
CCCCCCCCCCCCCCCCCC(=O)ON=C1CC(C)Cc2c1ccc(c2)OC(=O)CCCCCCCCCCCCCCCCC
InChI=1SC47H81NO4c14681012141618202224262830323446(49)514336374442(4043)3841(3)3945(44)485247(50)353331292725232119171513119752h36374041H4353839H213H3b4845+
MFCD00302513
ZINC000098001323
ZINC000098001324

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Available files

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