Vitas-M small molecule compound
(2S,7'R)-4'-(5-bromothiophen-2-yl)-7-chloro-4,6-dimethoxy-7'-methyl-3',4',7',8'-tetrahydro-2'H,3H-spiro[1-benzofuran-2,6'-quinoline]-2',3,5'(1'H)-trione
Catalog ID
STL550630
SMILES COc1cc(OC)c(c2c1C(=O)[C@]1(O2)[C@H](C)CC2=C(C1=O)C(CC(=O)N2)c1ccc(s1)Br)Cl
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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 C23H19BrClNO6S MW 552.83 g/mol Purity >90% as per NMR
InChI
InChI=1S/C23H19BrClNO6S/c1-9-6-11-17(10(7-16(27)26-11)14-4-5-15(24)33-14)21(28)23(9)22(29)18-12(30-2)8-13(31-3)19(25)20(18)32-23/h4-5,8-10H,6-7H2,1-3H3,(H,26,27)/t9-,10?,23+/m1/s1InChIKey
KFHQBNLWHQBMFQ-JQOMAREASA-NSynonyms
(2~(S)7~(R))4(5bromothiophen2yl)7chloro46dimethoxy7methylspiro(1benzofuran263478tetrahydro1~(H)quinoline)235trione
(2S7R)4(5bromothiophen2yl)7chloro46dimethoxy7methyl3478tetrahydro1H3Hspiro(benzofuran26quinoline)235trione
(2S7R)4(5bromothiophen2yl)7chloro46dimethoxy7methyl3478tetrahydro2H3Hspiro(1benzofuran26quinoline)235(1H)trione
129895704
COc1cc(OC)c(c2c1C(=O)(C@)1(O2)(C@H)(C)CC2=C(C1=O)C(CC(=O)N2)c1ccc(s1)Br)Cl
InChI=1SC23H19BrClNO6Sc1961117(10(716(27)2611)144515(24)3314)21(28)23(9)22(29)1812(302)813(313)19(25)20(18)3223h45810H67H213H3(H2627)t910?23+m1s1
ZINC000524731775
ZINC000524731776
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