Vitas-M small molecule compound
(2E)-3-(1,3-benzodioxol-5-ylamino)-1-(4-butoxyphenyl)prop-2-en-1-one
Catalog ID
STK986948
SMILES CCCCOc1ccc(cc1)C(=O)/C=C/Nc1ccc2c(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 C20H21NO4 MW 339.39 g/mol Purity >90% as per NMR
InChI
InChI=1S/C20H21NO4/c1-2-3-12-23-17-7-4-15(5-8-17)18(22)10-11-21-16-6-9-19-20(13-16)25-14-24-19/h4-11,13,21H,2-3,12,14H2,1H3/b11-10+InChIKey
PWCWVGHZXNKNAY-ZHACJKMWSA-NSynonyms
(2E)3(13benzodioxol5ylamino)1(4butoxyphenyl)prop2en1one
(E)3(13benzodioxol5ylamino)1(4butoxyphenyl)prop2en1one
CCCCOC1=CC=C(C=C1)C(=O)C=CNC2=CC3=C(C=C2)OCO3
CCCCOc1ccc(cc1)C(=O)C=CNc1ccc2c(c1)OCO2
InChI=1SC20H21NO4c1231223177415(5817)18(22)10112116691920(1316)25142419h4111321H231214H21H3b1110+
MFCD18183805
ZINC000051318531
ZINC51318531
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