Vitas-M small molecule compound
(2E)-3-(2,3-dihydro-1,4-benzodioxin-6-ylamino)-1-(4-methoxyphenyl)prop-2-en-1-one
Catalog ID
STL176873
SMILES COc1ccc(cc1)C(=O)/C=C/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 C18H17NO4 MW 311.34 g/mol Purity >90% as per NMR
InChI
InChI=1S/C18H17NO4/c1-21-15-5-2-13(3-6-15)16(20)8-9-19-14-4-7-17-18(12-14)23-11-10-22-17/h2-9,12,19H,10-11H2,1H3/b9-8+InChIKey
PBAWXPVLXPTCBW-CMDGGOBGSA-NSynonyms
828281-28-3(2E)3(23dihydro14benzodioxin6ylamino)1(4methoxyphenyl)prop2en1one
(2E)3(2H3HBENZO(34E)14DIOXAN6YLAMINO)1(4METHOXYPHENYL)PROP2EN1ONE
(E)3(23dihydro14benzodioxin6ylamino)1(4methoxyphenyl)prop2en1one
828281283
COC1=CC=C(C=C1)C(=O)C=CNC2=CC3=C(C=C2)OCCO3
COc1ccc(cc1)C(=O)C=CNc1ccc2c(c1)OCCO2
InChI=1SC18H17NO4c121155213(3615)16(20)891914471718(1214)2311102217h291219H1011H21H3b98+
MFCD04051116
ZINC000002791221
ZINC02791221
ZINC2791221
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