Vitas-M small molecule compound

(2E)-3-(1,3-benzodioxol-5-yl)-N-[2-(2,3-dihydro-1,4-benzodioxin-6-ylamino)-2-oxo-1-phenylethyl]-N-methylprop-2-enamide

Catalog ID
STK149214
SMILES O=C(N(C(C(=O)Nc1ccc2c(c1)OCCO2)c1ccccc1)C)/C=C/c1ccc2c(c1)OCO2

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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 C27H24N2O6 MW 472.50 g/mol Purity >90% as per NMR
InChI
InChI=1S/C27H24N2O6/c1-29(25(30)12-8-18-7-10-22-23(15-18)35-17-34-22)26(19-5-3-2-4-6-19)27(31)28-20-9-11-21-24(16-20)33-14-13-32-21/h2-12,15-16,26H,13-14,17H2,1H3,(H,28,31)/b12-8+
InChIKey
GRQZTKOSIIKODJ-XYOKQWHBSA-N
Synonyms

(2E)3(13BENZODIOXOL5YL)N(2(23DIHYDRO14BENZODIOXIN6YLAMINO)2OXO1PHENYLETHYL)NMETHYLPROP2ENAMIDE
(E)3(13BENZODIOXOL5YL)N(2(23DIHYDRO14BENZODIOXIN6YLAMINO)2OXO1PHENYLETHYL)NMETHYLPROP2ENAMIDE
CN(C(C1=CC=CC=C1)C(=O)NC2=CC3=C(C=C2)OCCO3)C(=O)C=CC4=CC5=C(C=C4)OCO5
InChI=1SC27H24N2O6c129(25(30)128187102223(1518)35173422)26(195324619)27(31)28209112124(1620)3314133221h212151626H131417H21H3(H2831)b128+
MFCD08674021
O=C(N(C(C(=O)Nc1ccc2c(c1)OCCO2)c1ccccc1)C)C=Cc1ccc2c(c1)OCO2
ZINC000003614951
ZINC000003614957

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Available files

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