Vitas-M small molecule compound
(2S,6'R)-7-chloro-4'-[4-(5,5-dimethyl-4,5-dihydro-1,3-thiazol-2-yl)piperazin-1-yl]-4,6-dimethoxy-6'-methyl-2'H,3H-spiro[1-benzofuran-2,1'-cyclohex[3]ene]-2',3-dione
Catalog ID
STL552183
SMILES COc1cc(OC)c(c2c1C(=O)[C@]1(O2)[C@H](C)CC(=CC1=O)N1CCN(CC1)C1=NCC(S1)(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 C25H30ClN3O5S MW 520.05 g/mol Purity >90% as per NMR
InChI
InChI=1S/C25H30ClN3O5S/c1-14-10-15(28-6-8-29(9-7-28)23-27-13-24(2,3)35-23)11-18(30)25(14)22(31)19-16(32-4)12-17(33-5)20(26)21(19)34-25/h11-12,14H,6-10,13H2,1-5H3/t14-,25+/m1/s1InChIKey
QPMOESPVOJGAPT-PWECECGKSA-NSynonyms
(1S6R)7chloro4(4(55dimethyl45dihydrothiazol2yl)piperazin1yl)46dimethoxy6methyl3Hspiro(benzofuran21cyclohex(3)ene)23dione
(2~(S)5~(R))7chloro3(4(55dimethyl4~(H)13thiazol2yl)piperazin1yl)46dimethoxy5methylspiro(1benzofuran26cyclohex2ene)13dione
(2S6R)7chloro4(4(55dimethyl45dihydro13thiazol2yl)piperazin1yl)46dimethoxy6methyl2H3Hspiro(1benzofuran21cyclohex(3)ene)23dione
135640461
COc1cc(OC)c(c2c1C(=O)(C@)1(O2)(C@H)(C)CC(=CC1=O)N1CCN(CC1)C1=NCC(S1)(C)C)Cl
InChI=1SC25H30ClN3O5Sc1141015(286829(9728)23271324(23)3523)1118(30)25(14)22(31)1916(324)1217(335)20(26)21(19)3425h111214H61013H215H3t1425+m1s1
ZINC001547139467
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