Vitas-M small molecule compound

(2S,7'R)-7-chloro-4'-(cyclohex-3-en-1-yl)-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
STL549300
SMILES COc1cc(OC)c(c2c1C(=O)[C@]1(O2)[C@H](C)CC2=C(C1=O)C(CC(=O)N2)C1CCC=CC1)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 C25H26ClNO6 MW 471.94 g/mol Purity >90% as per NMR
InChI
InChI=1S/C25H26ClNO6/c1-12-9-15-19(14(10-18(28)27-15)13-7-5-4-6-8-13)23(29)25(12)24(30)20-16(31-2)11-17(32-3)21(26)22(20)33-25/h4-5,11-14H,6-10H2,1-3H3,(H,27,28)/t12-,13?,14?,25+/m1/s1
InChIKey
VOLRJHRSNSSPDQ-HMPYBXPRSA-N
Synonyms

(2~(S)7~(R))7chloro4cyclohex3en1yl46dimethoxy7methylspiro(1benzofuran263478tetrahydro1~(H)quinoline)235trione
(2S7R)7chloro4(cyclohex3en1yl)46dimethoxy7methyl3478tetrahydro1H3Hspiro(benzofuran26quinoline)235trione
(2S7R)7chloro4(cyclohex3en1yl)46dimethoxy7methyl3478tetrahydro2H3Hspiro(1benzofuran26quinoline)235(1H)trione
129895437
COc1cc(OC)c(c2c1C(=O)(C@)1(O2)(C@H)(C)CC2=C(C1=O)C(CC(=O)N2)C1CCC=CC1)Cl
InChI=1SC25H26ClNO6c11291519(14(1018(28)2715)137546813)23(29)25(12)24(30)2016(312)1117(323)21(26)22(20)3325h451114H610H213H3(H2728)t1213?14?25+m1s1
ZINC000524731386
ZINC000524731389

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Available files

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