Vitas-M small molecule compound
3-[(2S,6'R)-7-chloro-2'-hydroxy-4,6-dimethoxy-6'-methyl-3,4'-dioxo-3H-spiro[1-benzofuran-2,1'-cyclohex[2]en]-3'-yl]-N-[(5-oxo-1-phenyl-2,5-dihydro-1H-pyrazol-3-yl)methyl]-3-(3,4,5-trimethoxyphenyl)propanamide
Catalog ID
STL561479
SMILES COc1cc(cc(c1OC)OC)C(C1=C(O)[C@]2([C@@H](CC1=O)C)Oc1c(C2=O)c(OC)cc(c1Cl)OC)CC(=O)NCc1[nH]n(c(=O)c1)c1ccccc1
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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 C38H38ClN3O11 MW 748.19 g/mol Purity >90% as per NMR
InChI
InChI=1S/C38H38ClN3O11/c1-19-12-24(43)31(36(46)38(19)37(47)32-25(48-2)17-26(49-3)33(39)35(32)53-38)23(20-13-27(50-4)34(52-6)28(14-20)51-5)16-29(44)40-18-21-15-30(45)42(41-21)22-10-8-7-9-11-22/h7-11,13-15,17,19,23,41,46H,12,16,18H2,1-6H3,(H,40,44)/t19-,23?InChIKey
DXRRAISRNBPASP-CBZVNVCHSA-NSynonyms
145704837
3((1S6R)7chloro2hydroxy46dimethoxy6methyl34dioxo3Hspiro(benzofuran21cyclohex(2)en)3yl)N((5oxo1phenyl25dihydro1Hpyrazol3yl)methyl)3(345trimethoxyphenyl)propanamide
3((2S4R)7chloro2hydroxy46dimethoxy4methyl36dioxospiro(1benzofuran23cyclohexene)1yl)N((3oxo2phenyl1Hpyrazol5yl)methyl)3(345trimethoxyphenyl)propanamide
3((2S6R)7CHLORO2HYDROXY46DIMETHOXY6METHYL34DIOXO3HSPIRO(1BENZOFURAN21CYCLOHEX(2)EN)3YL)N((5OXO1PHENYL25DIHYDRO1HPYRAZOL3YL)METHYL)3(345TRIMETHOXYPHENYL)PRO
3((2S6R)7chloro2hydroxy46dimethoxy6methyl34dioxo3Hspiro(1benzofuran21cyclohex(2)en)3yl)N((5oxo1phenyl25dihydro1Hpyrazol3yl)methyl)3(345trimethoxyphenyl)propanamide
COc1cc(cc(c1OC)OC)C(C1=C(O)(C@)2((C@@H)(CC1=O)C)Oc1c(C2=O)c(OC)cc(c1Cl)OC)CC(=O)NCc1(nH)n(c(=O)c1)c1ccccc1
InChI=1SC38H38ClN3O11c1191224(43)31(36(46)38(19)37(47)3225(482)1726(493)33(39)35(32)5338)23(201327(504)34(526)28(1420)515)1629(44)4018211530(45)42(4121)22108791122h71113151719234146H121618H216H3(H4044)t1923?38+m1s1
MFCD32650545
ZINC001848442667
ZINC001848442668
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