Vitas-M small molecule compound

2-[(2R,6'R)-7-chloro-4,6-dimethoxy-2'-(4-methoxyphenyl)-6'-methyl-3,4'-dioxo-6',7'-dihydro-3H,4'H-2,5'-spirobi[[1]benzofuran]-3'-yl]-N-[(1S)-1-phenylethyl]acetamide

Catalog ID
STL561673
SMILES COc1ccc(cc1)c1oc2c(c1CC(=O)N[C@H](c1ccccc1)C)C(=O)[C@]1([C@@H](C2)C)Oc2c(C1=O)c(OC)cc(c2Cl)OC

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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 C35H32ClNO8 MW 630.09 g/mol Purity >90% as per NMR
InChI
InChI=1S/C35H32ClNO8/c1-18-15-25-28(33(39)35(18)34(40)29-24(42-4)17-26(43-5)30(36)32(29)45-35)23(31(44-25)21-11-13-22(41-3)14-12-21)16-27(38)37-19(2)20-9-7-6-8-10-20/h6-14,17-19H,15-16H2,1-5H3,(H,37,38)/t18-,19+,35+/m1/s1
InChIKey
ZYFXSUUAKWECHS-QVXOUIFCSA-N
Synonyms

145705030
2((2R6R)7chloro46dimethoxy2(4methoxyphenyl)6methyl34dioxo67dihydro3H4H25spirobi((1)benzofuran)3yl)N((1S)1phenylethyl)acetamide
2((2S6R)7chloro46dimethoxy2(4methoxyphenyl)6methyl34dioxo67dihydro3H4H25spirobi(benzofuran)3yl)N((S)1phenylethyl)acetamide
2((2S6R)7chloro46dimethoxy2(4methoxyphenyl)6methyl34dioxospiro(1benzofuran2567dihydro1benzofuran)3yl)N((1S)1phenylethyl)acetamide
COc1ccc(cc1)c1oc2c(c1CC(=O)N(C@H)(c1ccccc1)C)C(=O)(C@)1((C@@H)(C2)C)Oc2c(C1=O)c(OC)cc(c2Cl)OC
InChI=1SC35H32ClNO8c118152528(33(39)35(18)34(40)2924(424)1726(435)30(36)32(29)4535)23(31(4425)21111322(413)141221)1627(38)3719(2)2097681020h6141719H1516H215H3(H3738)t1819+35+m1s1
MFCD32650738
ZINC001848443236

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Available files

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