Vitas-M small molecule compound
(2E)-1-[2-(benzyloxy)-5-methoxyphenyl]-3-(2,3-dihydro-1,4-benzodioxin-6-yl)prop-2-en-1-one
Catalog ID
STK856003
SMILES COc1ccc(c(c1)C(=O)/C=C/c1ccc2c(c1)OCCO2)OCc1ccccc1
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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 C25H22O5 MW 402.45 g/mol Purity >90% as per NMR
InChI
InChI=1S/C25H22O5/c1-27-20-9-12-23(30-17-19-5-3-2-4-6-19)21(16-20)22(26)10-7-18-8-11-24-25(15-18)29-14-13-28-24/h2-12,15-16H,13-14,17H2,1H3/b10-7+InChIKey
QAQMNGGOPQPVAO-JXMROGBWSA-NSynonyms
96755-19-0(2E)1(2(benzyloxy)5methoxyphenyl)3(23dihydro14benzodioxin6yl)prop2en1one
(E)1(2(BENZYLOXY)5METHOXYPHENYL)3(23DIHYDROBENZO(B)(14)DIOXIN6YL)PROP2EN1ONE
(E)3(23DIHYDRO14BENZODIOXIN6YL)1(5METHOXY2PHENYLMETHOXYPHENYL)PROP2EN1ONE
96755190
COC1=CC(=C(C=C1)OCC2=CC=CC=C2)C(=O)C=CC3=CC4=C(C=C3)OCCO4
COc1ccc(c(c1)C(=O)C=Cc1ccc2c(c1)OCCO2)OCc1ccccc1
InChI=1SC25H22O5c1272091223(3017195324619)21(1620)22(26)107188112425(1518)2914132824h2121516H131417H21H3b107+
MFCD01235371
ZINC000004070531
ZINC04070531
ZINC4070531
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