Vitas-M small molecule compound
(2S,6'R)-7-chloro-2'-hydroxy-3'-{1-(4-hydroxy-3-methoxyphenyl)-3-[4-(methylsulfonyl)piperazin-1-yl]-3-oxopropyl}-4,6-dimethoxy-6'-methyl-3H,4'H-spiro[1-benzofuran-2,1'-cyclohex[2]ene]-3,4'-dione
Catalog ID
STL551628
SMILES COc1cc(ccc1O)C(C1=C(O)[C@]2([C@@H](CC1=O)C)Oc1c(C2=O)c(OC)cc(c1Cl)OC)CC(=O)N1CCN(CC1)S(=O)(=O)C
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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 C31H35ClN2O11S MW 679.14 g/mol Purity >90% as per NMR
InChI
InChI=1S/C31H35ClN2O11S/c1-16-12-20(36)25(29(38)31(16)30(39)26-22(43-3)15-23(44-4)27(32)28(26)45-31)18(17-6-7-19(35)21(13-17)42-2)14-24(37)33-8-10-34(11-9-33)46(5,40)41/h6-7,13,15-16,18,35,38H,8-12,14H2,1-5H3/t16-,18?,31+/m1/s1InChIKey
PLBGRMXHKRCBEI-PGTSUYOHSA-NSynonyms
(1S6R)7chloro2hydroxy3(1(4hydroxy3methoxyphenyl)3(4(methylsulfonyl)piperazin1yl)3oxopropyl)46dimethoxy6methyl3Hspiro(benzofuran21cyclohex(2)ene)34dione
(2~(S)5~(R))7chloro3hydroxy2(1(4hydroxy3methoxyphenyl)3(4methylsulfonylpiperazin1yl)3oxopropyl)46dimethoxy5methylspiro(1benzofuran24cyclohex2ene)13dione
(2S6R)7chloro2hydroxy3(1(4hydroxy3methoxyphenyl)3(4(methylsulfonyl)piperazin1yl)3oxopropyl)46dimethoxy6methyl3H4Hspiro(1benzofuran21cyclohex(2)ene)34dione
135639994
COc1cc(ccc1O)C(C1=C(O)(C@)2((C@@H)(CC1=O)C)Oc1c(C2=O)c(OC)cc(c1Cl)OC)CC(=O)N1CCN(CC1)S(=O)(=O)C
InChI=1SC31H35ClN2O11Sc1161220(36)25(29(38)31(16)30(39)2622(433)1523(444)27(32)28(26)4531)18(176719(35)21(1317)422)1424(37)3381034(11933)46(540)41h67131516183538H81214H215H3t1618?31+m1s1
ZINC001547138677
ZINC001547138680
Check stock
See real-time availability and sample size for STL551628 on the Vitas-M platform.
Check stock on Vitas-MAvailable files
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