Vitas-M small molecule compound

N-[(1Z)-3-(azepan-1-yl)-1-(3,4-dimethoxyphenyl)-3-oxoprop-1-en-2-yl]-4-tert-butylbenzamide

Catalog ID
STK725410
SMILES COc1ccc(cc1OC)/C=C(/C(=O)N1CCCCCC1)\NC(=O)c1ccc(cc1)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 C28H36N2O4 MW 464.60 g/mol Purity >90% as per NMR
InChI
InChI=1S/C28H36N2O4/c1-28(2,3)22-13-11-21(12-14-22)26(31)29-23(27(32)30-16-8-6-7-9-17-30)18-20-10-15-24(33-4)25(19-20)34-5/h10-15,18-19H,6-9,16-17H2,1-5H3,(H,29,31)/b23-18-
InChIKey
HPNCRNZKRJHJAM-NKFKGCMQSA-N
Synonyms

CC(C)(C)C1=CC=C(C=C1)C(=O)NC(=CC2=CC(=C(C=C2)OC)OC)C(=O)N3CCCCCC3
COc1ccc(cc1OC)C=C(C(=O)N1CCCCCC1)NC(=O)c1ccc(cc1)C(C)(C)C
InChI=1SC28H36N2O4c128(23)22131121(121422)26(31)2923(27(32)301686791730)1820101524(334)25(1920)345h10151819H691617H215H3(H2931)b2318
MFCD02043866
N((1Z)3(azepan1yl)1(34dimethoxyphenyl)3oxoprop1en2yl)4tertbutylbenzamide
N((Z)3(AZEPAN1YL)1(34DIMETHOXYPHENYL)3OXOPROP1EN2YL)4TERTBUTYLBENZAMIDE
ZINC000012381658
ZINC12381658

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Available files

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