Vitas-M small molecule compound
(2E)-1-(5-methylidene-7,8-dihydro[1,3]dioxolo[4,5-g]isoquinolin-6(5H)-yl)-3-(thiophen-2-yl)prop-2-en-1-one
Catalog ID
STK579155
SMILES O=C(N1CCc2c(C1=C)cc1c(c2)OCO1)/C=C/c1cccs1
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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 C18H15NO3S MW 325.39 g/mol Purity >90% as per NMR
InChI
InChI=1S/C18H15NO3S/c1-12-15-10-17-16(21-11-22-17)9-13(15)6-7-19(12)18(20)5-4-14-3-2-8-23-14/h2-5,8-10H,1,6-7,11H2/b5-4+InChIKey
DKBUIWOCPIBBIB-SNAWJCMRSA-NSynonyms
883954-93-6(2E)1(5methylidene78dihydro(13)dioxolo(45g)isoquinolin6(5H)yl)3(thiophen2yl)prop2en1one
(E)1(5methylene78dihydro(13)dioxolo(45g)isoquinolin6(5H)yl)3(thiophen2yl)prop2en1one
(E)1(5METHYLIDENE78DIHYDRO(13)DIOXOLO(45G)ISOQUINOLIN6YL)3THIOPHEN2YLPROP2EN1ONE
883954936
C=C1C2=CC3=C(C=C2CCN1C(=O)C=CC4=CC=CS4)OCO3
InChI=1SC18H15NO3Sc11215101716(21112217)913(15)6719(12)18(20)54143282314h25810H16711H2b54+
MFCD07639633
O=C(N1CCc2c(C1=C)cc1c(c2)OCO1)C=Cc1cccs1
ZINC000005428018
ZINC05428018
ZINC5428018
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