Vitas-M small molecule compound
N-[(1Z)-3-[(4-acetylphenyl)amino]-1-(1,3-benzodioxol-5-yl)-3-oxoprop-1-en-2-yl]-4-tert-butylbenzamide
Catalog ID
STK382070
SMILES O=C(/C(=C/c1ccc2c(c1)OCO2)/NC(=O)c1ccc(cc1)C(C)(C)C)Nc1ccc(cc1)C(=O)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 C29H28N2O5 MW 484.55 g/mol Purity >90% as per NMR
InChI
InChI=1S/C29H28N2O5/c1-18(32)20-8-12-23(13-9-20)30-28(34)24(15-19-5-14-25-26(16-19)36-17-35-25)31-27(33)21-6-10-22(11-7-21)29(2,3)4/h5-16H,17H2,1-4H3,(H,30,34)(H,31,33)/b24-15-InChIKey
IVYVSEHNGKELQS-IWIPYMOSSA-NSynonyms
3(2HBENZO(34D)13DIOXOLAN5YL)(2Z)N(4ACETYLPHENYL)2((4(TERTBUTYL)PHENYL)CARBONYLAMINO)PROP2ENAMIDE
CC(=O)C1=CC=C(C=C1)NC(=O)C(=CC2=CC3=C(C=C2)OCO3)NC(=O)C4=CC=C(C=C4)C(C)(C)C
InChI=1SC29H28N2O5c118(32)2081223(13920)3028(34)24(15195142526(1619)36173525)3127(33)2161022(11721)29(23)4h516H17H214H3(H3034)(H3133)b2415
MFCD03037100
N((1Z)3((4acetylphenyl)amino)1(13benzodioxol5yl)3oxoprop1en2yl)4tertbutylbenzamide
N((Z)3(4acetylanilino)1(13benzodioxol5yl)3oxoprop1en2yl)4tertbutylbenzamide
O=C(C(=Cc1ccc2c(c1)OCO2)NC(=O)c1ccc(cc1)C(C)(C)C)Nc1ccc(cc1)C(=O)C
ZINC000015944910
ZINC15944910
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