Vitas-M small molecule compound

(2S,7'R)-7-chloro-4,6-dimethoxy-7'-methyl-4'-{4-[(2-methylprop-2-en-1-yl)oxy]phenyl}-1'-(propan-2-yl)-1',2',4',7',8',9'-hexahydro-3H-spiro[1-benzofuran-2,6'-pyrazolo[3,4-b]quinoline]-3,3',5'-trione

Catalog ID
STL549342
SMILES COc1cc(OC)c(c2c1C(=O)[C@]1(O2)[C@H](C)CC2=C(C1=O)C(c1ccc(cc1)OCC(=C)C)c1c(N2)n([nH]c1=O)C(C)C)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 C33H34ClN3O7 MW 620.10 g/mol Purity >90% as per NMR
InChI
InChI=1S/C33H34ClN3O7/c1-15(2)14-43-19-10-8-18(9-11-19)23-24-20(35-31-26(23)32(40)36-37(31)16(3)4)12-17(5)33(29(24)38)30(39)25-21(41-6)13-22(42-7)27(34)28(25)44-33/h8-11,13,16-17,23,35H,1,12,14H2,2-7H3,(H,36,40)/t17-,23?,33+/m1/s1
InChIKey
IQFPKLGWUCJRJX-POQQSOGKSA-N
Synonyms

(2~(S)7~(R))7chloro46dimethoxy7methyl4(4(2methylprop2enoxy)phenyl)1propan2ylspiro(1benzofuran264789tetrahydro2~(H)pyrazolo(34b)quinoline)335trione
(2S7R)7chloro1isopropyl46dimethoxy7methyl4(4((2methylallyl)oxy)phenyl)1278tetrahydro3Hspiro(benzofuran26pyrazolo(34b)quinoline)335(4H9H)trione
(2S7R)7chloro46dimethoxy7methyl4(4((2methylprop2en1yl)oxy)phenyl)1(propan2yl)124789hexahydro3Hspiro(1benzofuran26pyrazolo(34b)quinoline)335trione
132352406
COc1cc(OC)c(c2c1C(=O)(C@)1(O2)(C@H)(C)CC2=C(C1=O)C(c1ccc(cc1)OCC(=C)C)c1c(N2)n((nH)c1=O)C(C)C)Cl
InChI=1SC33H34ClN3O7c115(2)14431910818(91119)232420(353126(23)32(40)3637(31)16(3)4)1217(5)33(29(24)38)30(39)2521(416)1322(427)27(34)28(25)4433h8111316172335H11214H227H3(H3640)t1723?33+m1s1
ZINC000824567058
ZINC000824567075

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Available files

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