Vitas-M small molecule compound
(2S,6'R)-7-chloro-3'-[3-{4-[3-(dimethylamino)propyl]piperazin-1-yl}-1-(4-hydroxy-3-methoxyphenyl)-3-oxopropyl]-2'-hydroxy-4,6-dimethoxy-6'-methyl-3H,4'H-spiro[1-benzofuran-2,1'-cyclohex[2]ene]-3,4'-dione
Catalog ID
STL552473
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)CCCN(C)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 C35H44ClN3O9 MW 686.20 g/mol Purity >90% as per NMR
InChI
InChI=1S/C35H44ClN3O9/c1-20-16-24(41)29(33(43)35(20)34(44)30-26(46-5)19-27(47-6)31(36)32(30)48-35)22(21-8-9-23(40)25(17-21)45-4)18-28(42)39-14-12-38(13-15-39)11-7-10-37(2)3/h8-9,17,19-20,22,40,43H,7,10-16,18H2,1-6H3/t20-,22?,35+/m1/s1InChIKey
MFYYQFWIHGHNOZ-QGPRUUBLSA-NSynonyms
(1S6R)7chloro3(3(4(3(dimethylamino)propyl)piperazin1yl)1(4hydroxy3methoxyphenyl)3oxopropyl)2hydroxy46dimethoxy6methyl3Hspiro(benzofuran21cyclohex(2)ene)34dione
(2~(S)5~(R))7chloro2(3(4(3(dimethylamino)propyl)piperazin1yl)1(4hydroxy3methoxyphenyl)3oxopropyl)3hydroxy46dimethoxy5methylspiro(1benzofuran24cyclohex2ene)13dione
(2S6R)7CHLORO3(3(4(3(DIMETHYLAMINO)PROPYL)PIPERAZIN1YL)1(4HYDROXY3METHOXYPHENYL)3OXOPROPYL)2HYDROXY46DIMETHOXY6METHYL3H4HSPIRO(1BENZOFURAN21CYCLOHEX(2)ENE)34DI
(2S6R)7chloro3(3(4(3(dimethylamino)propyl)piperazin1yl)1(4hydroxy3methoxyphenyl)3oxopropyl)2hydroxy46dimethoxy6methyl3H4Hspiro(1benzofuran21cyclohex(2)ene)34dione
135640705
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)CCCN(C)C
InChI=1SC35H44ClN3O9c1201624(41)29(33(43)35(20)34(44)3026(465)1927(476)31(36)32(30)4835)22(218923(40)25(1721)454)1828(42)39141238(131539)1171037(2)3h89171920224043H7101618H216H3t2022?35+m1s1
ZINC001547205819
ZINC001547205820
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