Vitas-M small molecule compound
(2S,7'R)-7-chloro-4,6-dimethoxy-7'-methyl-4'-(pyridin-3-yl)-3',4',7',8'-tetrahydro-2'H,3H-spiro[1-benzofuran-2,6'-quinoline]-2',3,5'(1'H)-trione
Catalog ID
STL550247
SMILES COc1cc(OC)c(c2c1C(=O)[C@]1(O2)[C@H](C)CC2=C(C1=O)C(CC(=O)N2)c1cccnc1)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 C24H21ClN2O6 MW 468.89 g/mol Purity >90% as per NMR
InChI
InChI=1S/C24H21ClN2O6/c1-11-7-14-18(13(8-17(28)27-14)12-5-4-6-26-10-12)22(29)24(11)23(30)19-15(31-2)9-16(32-3)20(25)21(19)33-24/h4-6,9-11,13H,7-8H2,1-3H3,(H,27,28)/t11-,13?,24+/m1/s1InChIKey
NJQXSPBGOOZTJA-IGCVFHPJSA-NSynonyms
(2~(S)7~(R))7chloro46dimethoxy7methyl4pyridin3ylspiro(1benzofuran263478tetrahydro1~(H)quinoline)235trione
(2S7R)7chloro46dimethoxy7methyl4(pyridin3yl)3478tetrahydro1H3Hspiro(benzofuran26quinoline)235trione
(2S7R)7chloro46dimethoxy7methyl4(pyridin3yl)3478tetrahydro2H3Hspiro(1benzofuran26quinoline)235(1H)trione
129894918
COc1cc(OC)c(c2c1C(=O)(C@)1(O2)(C@H)(C)CC2=C(C1=O)C(CC(=O)N2)c1cccnc1)Cl
InChI=1SC24H21ClN2O6c11171418(13(817(28)2714)12546261012)22(29)24(11)23(30)1915(312)916(323)20(25)21(19)3324h4691113H78H213H3(H2728)t1113?24+m1s1
ZINC000524729893
ZINC000524729894
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