Vitas-M small molecule compound
N-(1,1-dioxidotetrahydrothiophen-3-yl)-2-[2-(1,3-dioxo-1H-benzo[de]isoquinolin-2(3H)-yl)ethyl]-4,5-dimethoxybenzenesulfonamide
Catalog ID
STK543711
SMILES COc1cc(CCn2c(=O)c3cccc4c3c(c2=O)ccc4)c(cc1OC)S(=O)(=O)NC1CCS(=O)(=O)C1
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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 C26H26N2O8S2 MW 558.63 g/mol Purity >90% as per NMR
InChI
InChI=1S/C26H26N2O8S2/c1-35-21-13-17(23(14-22(21)36-2)38(33,34)27-18-10-12-37(31,32)15-18)9-11-28-25(29)19-7-3-5-16-6-4-8-20(24(16)19)26(28)30/h3-8,13-14,18,27H,9-12,15H2,1-2H3InChIKey
XUCXOYPNFWBTRL-UHFFFAOYSA-NSynonyms
442556-17-42(2(13DIOXOBENZO(DE)ISOQUINOLIN2YL)ETHYL)N(11DIOXOTHIOLAN3YL)45DIMETHOXYBENZENESULFONAMIDE
442556174
COC1=C(C=C(C(=C1)CCN2C(=O)C3=CC=CC4=C3C(=CC=C4)C2=O)S(=O)(=O)NC5CCS(=O)(=O)C5)OC
InChI=1SC26H26N2O8S2c135211317(23(1422(21)362)38(3334)2718101237(3132)1518)9112825(29)197351664820(24(16)19)26(28)30h3813141827H91215H212H3
MFCD03066903
N(11dioxidotetrahydrothiophen3yl)2(2(13dioxo1Hbenzo(de)isoquinolin2(3H)yl)ethyl)45dimethoxybenzenesulfonamide
ZINC000008433157
ZINC000008433158
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