Vitas-M small molecule compound
7'-(cyclopropylcarbonyl)-2,2',3,3'-tetrahydro-6,6'-bi-1,4-benzodioxine-7-carbonitrile
Catalog ID
STK947402
SMILES N#Cc1cc2OCCOc2cc1c1cc2OCCOc2cc1C(=O)C1CC1
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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 C21H17NO5 MW 363.37 g/mol Purity >90% as per NMR
InChI
InChI=1S/C21H17NO5/c22-11-13-7-17-18(25-4-3-24-17)8-14(13)15-9-19-20(27-6-5-26-19)10-16(15)21(23)12-1-2-12/h7-10,12H,1-6H2InChIKey
BGIWWSUUWRNEMA-UHFFFAOYSA-NSynonyms
6(6(cyclopropanecarbonyl)23dihydro14benzodioxin7yl)23dihydro14benzodioxine7carbonitrile
7(cyclopropylcarbonyl)2233tetrahydro66bi14benzodioxine7carbonitrile
C1CC1C(=O)C2=CC3=C(C=C2C4=CC5=C(C=C4C#N)OCCO5)OCCO3
InChI=1SC21H17NO5c22111371718(25432417)814(13)1591920(27652619)1016(15)21(23)121212h71012H16H2
MFCD18180741
ZINC000044928780
ZINC44928780
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