Vitas-M small molecule compound
(2S,6'R)-7-chloro-2'-hydroxy-3'-[1-(4-hydroxy-3-methoxyphenyl)-3-oxo-3-(3-oxopiperazin-1-yl)propyl]-4,6-dimethoxy-6'-methyl-3H,4'H-spiro[1-benzofuran-2,1'-cyclohex[2]ene]-3,4'-dione
Catalog ID
STL561765
SMILES COc1cc(ccc1O)C(C1=C(O)[C@]2([C@@H](CC1=O)C)Oc1c(C2=O)c(OC)cc(c1Cl)OC)CC(=O)N1CCNC(=O)C1
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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 C30H31ClN2O10 MW 615.04 g/mol Purity >90% as per NMR
InChI
InChI=1S/C30H31ClN2O10/c1-14-9-18(35)24(28(38)30(14)29(39)25-20(41-3)12-21(42-4)26(31)27(25)43-30)16(15-5-6-17(34)19(10-15)40-2)11-23(37)33-8-7-32-22(36)13-33/h5-6,10,12,14,16,34,38H,7-9,11,13H2,1-4H3,(H,32,36)/t14-,16?,30+/m1/s1InChIKey
FNXQDPVYVAJSAK-NOTWYEQSSA-NSynonyms
(1S6R)7chloro2hydroxy3(1(4hydroxy3methoxyphenyl)3oxo3(3oxopiperazin1yl)propyl)46dimethoxy6methyl3Hspiro(benzofuran21cyclohex(2)ene)34dione
(2S5R)7chloro3hydroxy2(1(4hydroxy3methoxyphenyl)3oxo3(3oxopiperazin1yl)propyl)46dimethoxy5methylspiro(1benzofuran24cyclohex2ene)13dione
(2S6R)7chloro2hydroxy3(1(4hydroxy3methoxyphenyl)3oxo3(3oxopiperazin1yl)propyl)46dimethoxy6methyl3H4Hspiro(1benzofuran21cyclohex(2)ene)34dione
145705121
COc1cc(ccc1O)C(C1=C(O)(C@)2((C@@H)(CC1=O)C)Oc1c(C2=O)c(OC)cc(c1Cl)OC)CC(=O)N1CCNC(=O)C1
InChI=1SC30H31ClN2O10c114918(35)24(28(38)30(14)29(39)2520(413)1221(424)26(31)27(25)4330)16(155617(34)19(1015)402)1123(37)33873222(36)1333h56101214163438H791113H214H3(H3236)t1416?30+m1s1
MFCD32650830
ZINC001848442684
ZINC001848442685
Check stock
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Check stock on Vitas-MAvailable files
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