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(2S,6'R)-7-chloro-4,6-dimethoxy-6'-methyl-4'-[(2-{[(1R,9aR)-octahydro-2H-quinolizin-1-ylmethyl]sulfanyl}phenyl)amino]-2'H,3H-spiro[1-benzofuran-2,1'-cyclohex[3]ene]-2',3-dione

Catalog ID
STL551222
SMILES COc1cc(OC)c(c2c1C(=O)[C@]1(O2)[C@H](C)CC(=CC1=O)Nc1ccccc1SC[C@@H]1CCCN2[C@@H]1CCCC2)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 C32H37ClN2O5S MW 597.17 g/mol Purity >90% as per NMR
InChI
InChI=1S/C32H37ClN2O5S/c1-19-15-21(16-27(36)32(19)31(37)28-24(38-2)17-25(39-3)29(33)30(28)40-32)34-22-10-4-5-12-26(22)41-18-20-9-8-14-35-13-7-6-11-23(20)35/h4-5,10,12,16-17,19-20,23,34H,6-9,11,13-15,18H2,1-3H3/t19-,20+,23-,32+/m1/s1
InChIKey
FLVXFZVPQFNJME-WACTXLRBSA-N
Synonyms

(1S6R)7chloro46dimethoxy6methyl4((2((((1R9aR)octahydro1Hquinolizin1yl)methyl)thio)phenyl)amino)3Hspiro(benzofuran21cyclohex(3)ene)23dione
(2~(S)5~(R))3(2(((1~(R)9~(a)~(R))23467899~(a)octahydro1~(H)quinolizin1yl)methylsulfanyl)anilino)7chloro46dimethoxy5methylspiro(1benzofuran26cyclohex2ene)13dione
(2S6R)7chloro46dimethoxy6methyl4((2(((1R9aR)octahydro2Hquinolizin1ylmethyl)sulfanyl)phenyl)amino)2H3Hspiro(1benzofuran21cyclohex(3)ene)23dione
127253211
COc1cc(OC)c(c2c1C(=O)(C@)1(O2)(C@H)(C)CC(=CC1=O)Nc1ccccc1SC(C@@H)1CCCN2(C@@H)1CCCC2)Cl
InChI=1SC32H37ClN2O5Sc1191521(1627(36)32(19)31(37)2824(382)1725(393)29(33)30(28)4032)342210451226(22)41182098143513761123(20)35h451012161719202334H6911131518H213H3t1920+2332+m1s1
ZINC000604404594
ZINC604404594

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Available files

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