Vitas-M small molecule compound
(2Z)-1-[4-(azepan-1-ylsulfonyl)phenyl]-2-(3,4,9,10-tetrahydro-2H-[1,4]dioxepino[2,3-g]isoquinolin-7(8H)-ylidene)ethanone
Catalog ID
STK581709
SMILES O=C(c1ccc(cc1)S(=O)(=O)N1CCCCCC1)/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 C26H30N2O5S MW 482.60 g/mol Purity >90% as per NMR
InChI
InChI=1S/C26H30N2O5S/c29-24(19-6-8-21(9-7-19)34(30,31)28-12-3-1-2-4-13-28)18-23-22-17-26-25(32-14-5-15-33-26)16-20(22)10-11-27-23/h6-9,16-18,27H,1-5,10-15H2/b23-18-InChIKey
SLYUIMDTKLPMED-NKFKGCMQSA-NSynonyms
883952-42-9(2Z)1(4(azepan1ylsulfonyl)phenyl)2(2348910hexahydro(14)dioxepino(23g)isoquinolin7ylidene)ethanone
(2Z)1(4(azepan1ylsulfonyl)phenyl)2(34910tetrahydro2H(14)dioxepino(23g)isoquinolin7(8H)ylidene)ethanone
(Z)1(4(azepan1ylsulfonyl)phenyl)2(34910tetrahydro2H(14)dioxepino(23g)isoquinolin7(8H)ylidene)ethanone
883952429
C1CCCN(CC1)S(=O)(=O)C2=CC=C(C=C2)C(=O)C=C3C4=CC5=C(C=C4CCN3)OCCCO5
InChI=1SC26H30N2O5Sc2924(196821(9719)34(3031)281231241328)182322172625(32145153326)1620(22)10112723h69161827H151015H2b2318
MFCD07638906
O=C(c1ccc(cc1)S(=O)(=O)N1CCCCCC1)C=C1NCCc2c1cc1OCCCOc1c2
ZINC000013577126
ZINC13577126
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