Vitas-M small molecule compound
(2Z)-1-[4-(azepan-1-ylsulfonyl)phenyl]-2-(7,8-dihydro[1,3]dioxolo[4,5-g]isoquinolin-5(6H)-ylidene)ethanone
Catalog ID
STK579787
SMILES O=C(c1ccc(cc1)S(=O)(=O)N1CCCCCC1)/C=C/1\NCCc2c1cc1OCOc1c2
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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 C24H26N2O5S MW 454.55 g/mol Purity >90% as per NMR
InChI
InChI=1S/C24H26N2O5S/c27-22(15-21-20-14-24-23(30-16-31-24)13-18(20)9-10-25-21)17-5-7-19(8-6-17)32(28,29)26-11-3-1-2-4-12-26/h5-8,13-15,25H,1-4,9-12,16H2/b21-15-InChIKey
QBKPGLZQFPEGTG-QNGOZBTKSA-NSynonyms
883953-18-2(2Z)1(4(azepan1ylsulfonyl)phenyl)2(78dihydro(13)dioxolo(45g)isoquinolin5(6H)ylidene)ethanone
(2Z)1(4(azepan1ylsulfonyl)phenyl)2(78dihydro6H(13)dioxolo(45g)isoquinolin5ylidene)ethanone
(Z)1(4(azepan1ylsulfonyl)phenyl)2(78dihydro(13)dioxolo(45g)isoquinolin5(6H)ylidene)ethanone
883953182
C1CCCN(CC1)S(=O)(=O)C2=CC=C(C=C2)C(=O)C=C3C4=CC5=C(C=C4CCN3)OCO5
InChI=1SC24H26N2O5Sc2722(152120142423(30163124)1318(20)9102521)175719(8617)32(2829)261131241226h58131525H1491216H2b2115
MFCD07639852
O=C(c1ccc(cc1)S(=O)(=O)N1CCCCCC1)C=C1NCCc2c1cc1OCOc1c2
ZINC000009129218
ZINC09129218
ZINC9129218
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