Vitas-M small molecule compound

N-[4-({2-methoxy-5-[(1E)-3-oxo-3-(tricyclo[3.3.1.1~3,7~]dec-1-yl)prop-1-en-1-yl]benzyl}oxy)phenyl]acetamide

Catalog ID
STK723160
SMILES COc1ccc(cc1COc1ccc(cc1)NC(=O)C)/C=C/C(=O)C12CC3CC(C2)CC(C1)C3

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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 C29H33NO4 MW 459.59 g/mol Purity >90% as per NMR
InChI
InChI=1S/C29H33NO4/c1-19(31)30-25-5-7-26(8-6-25)34-18-24-14-20(3-9-27(24)33-2)4-10-28(32)29-15-21-11-22(16-29)13-23(12-21)17-29/h3-10,14,21-23H,11-13,15-18H2,1-2H3,(H,30,31)/b10-4+
InChIKey
ILTNWQSTHKYEGX-ONNFQVAWSA-N
Synonyms
404916-55-8
404916558
CC(=O)NC1=CC=C(C=C1)OCC2=C(C=CC(=C2)C=CC(=O)C34CC5CC(C3)CC(C5)C4)OC
COc1ccc(cc1COc1ccc(cc1)NC(=O)C)C=CC(=O)C12CC3CC(C2)CC(C1)C3
InChI=1SC29H33NO4c119(31)30255726(8625)3418241420(3927(24)332)41028(32)2915211122(1629)1323(1221)1729h310142123H11131518H212H3(H3031)b104+
MFCD02612095
N(4((2methoxy5((1E)3oxo3(tricyclo(3311~37~)dec1yl)prop1en1yl)benzyl)oxy)phenyl)acetamide
N(4((5((E)3((3r5r7r)adamantan1yl)3oxoprop1en1yl)2methoxybenzyl)oxy)phenyl)acetamide
N(4((5((E)3(1ADAMANTYL)3OXOPROP1ENYL)2METHOXYPHENYL)METHOXY)PHENYL)ACETAMIDE
ZINC000009369670
ZINC09369670
ZINC9369670

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Available files

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