Vitas-M small molecule compound
(2E,2'E)-1,1'-(1,4-diazepane-1,4-diyl)bis[3-(1,3-benzodioxol-5-yl)prop-2-en-1-one]
Catalog ID
STK334366
SMILES O=C(N1CCCN(CC1)C(=O)/C=C/c1ccc2c(c1)OCO2)/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 C25H24N2O6 MW 448.48 g/mol Purity >90% as per NMR
InChI
InChI=1S/C25H24N2O6/c28-24(8-4-18-2-6-20-22(14-18)32-16-30-20)26-10-1-11-27(13-12-26)25(29)9-5-19-3-7-21-23(15-19)33-17-31-21/h2-9,14-15H,1,10-13,16-17H2/b8-4+,9-5+InChIKey
TWDZEEMHKACJST-KBXRYBNXSA-NSynonyms
(2E)1(4((2E)3(2HBENZO(D)13DIOXOLAN5YL)PROP2ENOYL)(14DIAZAPERHYDROEPINYL))3(2HBENZO(D)13DIOXOLAN5YL)PROP2EN1ONE
(2E2E)11(14diazepane14diyl)bis(3(13benzodioxol5yl)prop2en1one)
(E)3(13BENZODIOXOL5YL)1(4((E)3(13BENZODIOXOL5YL)PROP2ENOYL)14DIAZEPAN1YL)PROP2EN1ONE
C1CN(CCN(C1)C(=O)C=CC2=CC3=C(C=C2)OCO3)C(=O)C=CC4=CC5=C(C=C4)OCO5
InChI=1SC25H24N2O6c2824(8418262022(1418)32163020)261011127(131226)25(29)9519372123(1519)33173121h291415H110131617H2b84+95+
MFCD03404702
O=C(N1CCCN(CC1)C(=O)C=Cc1ccc2c(c1)OCO2)C=Cc1ccc2c(c1)OCO2
ZINC000001117292
ZINC01117292
ZINC1117292
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