Vitas-M small molecule compound
N-[(1E)-3-[(4-acetylphenyl)amino]-1-(1,3-benzodioxol-5-yl)-3-oxoprop-1-en-2-yl]-4-butoxybenzamide
Catalog ID
STK382038
SMILES CCCCOc1ccc(cc1)C(=O)N/C(=C/c1ccc2c(c1)OCO2)/C(=O)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 C29H28N2O6 MW 500.55 g/mol Purity >90% as per NMR
InChI
InChI=1S/C29H28N2O6/c1-3-4-15-35-24-12-8-22(9-13-24)28(33)31-25(16-20-5-14-26-27(17-20)37-18-36-26)29(34)30-23-10-6-21(7-11-23)19(2)32/h5-14,16-17H,3-4,15,18H2,1-2H3,(H,30,34)(H,31,33)/b25-16+InChIKey
CSLXNWMGJKUXGC-PCLIKHOPSA-NSynonyms
(2E)3(2HBENZO(34D)13DIOXOLAN5YL)N(4ACETYLPHENYL)2((4BUTOXYPHENYL)CARBONYLAMINO)PROP2ENAMIDE
CCCCOC1=CC=C(C=C1)C(=O)NC(=CC2=CC3=C(C=C2)OCO3)C(=O)NC4=CC=C(C=C4)C(=O)C
CCCCOc1ccc(cc1)C(=O)NC(=Cc1ccc2c(c1)OCO2)C(=O)Nc1ccc(cc1)C(=O)C
InChI=1SC29H28N2O6c13415352412822(91324)28(33)3125(16205142627(1720)37183626)29(34)302310621(71123)19(2)32h5141617H341518H212H3(H3034)(H3133)b2516+
MFCD03273758
N((1E)3((4acetylphenyl)amino)1(13benzodioxol5yl)3oxoprop1en2yl)4butoxybenzamide
N((E)3(4ACETYLANILINO)1(13BENZODIOXOL5YL)3OXOPROP1EN2YL)4BUTOXYBENZAMIDE
ZINC000015944903
ZINC15944903
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