Vitas-M small molecule compound
(2E)-3-(1,3-benzodioxol-5-yl)-N-[2-(2,3-dihydro-1,4-benzodioxin-6-ylamino)-1-(4-methylphenyl)-2-oxoethyl]-N-methylprop-2-enamide
Catalog ID
STK142307
SMILES Cc1ccc(cc1)C(N(C(=O)/C=C/c1ccc2c(c1)OCO2)C)C(=O)Nc1ccc2c(c1)OCCO2
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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 C28H26N2O6 MW 486.52 g/mol Purity >90% as per NMR
InChI
InChI=1S/C28H26N2O6/c1-18-3-7-20(8-4-18)27(28(32)29-21-9-11-22-25(16-21)34-14-13-33-22)30(2)26(31)12-6-19-5-10-23-24(15-19)36-17-35-23/h3-12,15-16,27H,13-14,17H2,1-2H3,(H,29,32)/b12-6+InChIKey
FJDSRDGJLCIQEZ-WUXMJOGZSA-NSynonyms
(2E)3(13BENZODIOXOL5YL)N(2(23DIHYDRO14BENZODIOXIN6YLAMINO)1(4METHYLPHENYL)2OXOETHYL)NMETHYLPROP2ENAMIDE
(E)3(13BENZODIOXOL5YL)N(2(23DIHYDRO14BENZODIOXIN6YLAMINO)1(4METHYLPHENYL)2OXOETHYL)NMETHYLPROP2ENAMIDE
CC1=CC=C(C=C1)C(C(=O)NC2=CC3=C(C=C2)OCCO3)N(C)C(=O)C=CC4=CC5=C(C=C4)OCO5
Cc1ccc(cc1)C(N(C(=O)C=Cc1ccc2c(c1)OCO2)C)C(=O)Nc1ccc2c(c1)OCCO2
InChI=1SC28H26N2O6c1183720(8418)27(28(32)29219112225(1621)3414133322)30(2)26(31)126195102324(1519)36173523h312151627H131417H212H3(H2932)b126+
MFCD08674709
ZINC000003614925
ZINC000003614930
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