Vitas-M small molecule compound
(2Z)-2-(3,4,9,10-tetrahydro-2H-[1,4]dioxepino[2,3-g]isoquinolin-7(8H)-ylidene)-1-[2-(thiophen-2-yl)quinolin-4-yl]ethanone
Catalog ID
STK591221
SMILES O=C(c1cc(nc2c1cccc2)c1cccs1)/C=C/1\NCCc2c1cc1OCCCOc1c2
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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 C27H22N2O3S MW 454.55 g/mol Purity >90% as per NMR
InChI
InChI=1S/C27H22N2O3S/c30-24(20-14-23(27-7-3-12-33-27)29-21-6-2-1-5-18(20)21)16-22-19-15-26-25(31-10-4-11-32-26)13-17(19)8-9-28-22/h1-3,5-7,12-16,28H,4,8-11H2/b22-16-InChIKey
NKLLELNONKUSEH-JWGURIENSA-NSynonyms
898916-74-0(2Z)2(2348910hexahydro(14)dioxepino(23g)isoquinolin7ylidene)1(2thiophen2ylquinolin4yl)ethanone
(2Z)2(34910tetrahydro2H(14)dioxepino(23g)isoquinolin7(8H)ylidene)1(2(thiophen2yl)quinolin4yl)ethanone
(Z)2(34910tetrahydro2H(14)dioxepino(23g)isoquinolin7(8H)ylidene)1(2(thiophen2yl)quinolin4yl)ethanone
898916740
C1COC2=C(C=C3C(=C2)CCNC3=CC(=O)C4=CC(=NC5=CC=CC=C54)C6=CC=CS6)OC1
InChI=1SC27H22N2O3Sc3024(201423(2773123327)2921621518(20)21)162219152625(31104113226)1317(19)892822h1357121628H4811H2b2216
MFCD07639950
O=C(c1cc(nc2c1cccc2)c1cccs1)C=C1NCCc2c1cc1OCCCOc1c2
ZINC000013591393
ZINC13591393
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