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-[2-(5-methoxy-2-oxo-2,3-dihydro-1H-indol-3-yl)ethyl]acetamide
Catalog ID
STL561975
SMILES COc1ccc(cc1)c1oc2c(c1CC(=O)NCCC1C(=O)Nc3c1cc(OC)cc3)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 C38H35ClN2O10 MW 715.16 g/mol Purity >90% as per NMR
InChI
InChI=1S/C38H35ClN2O10/c1-18-14-27-30(35(43)38(18)36(44)31-26(48-4)17-28(49-5)32(39)34(31)51-38)24(33(50-27)19-6-8-20(46-2)9-7-19)16-29(42)40-13-12-22-23-15-21(47-3)10-11-25(23)41-37(22)45/h6-11,15,17-18,22H,12-14,16H2,1-5H3,(H,40,42)(H,41,45)/t18-,22?,38InChIKey
XZQUBTFXVDPMDJ-YAKCVDNJSA-NSynonyms
145705327
2((2R6R)7chloro46dimethoxy2(4methoxyphenyl)6methyl34dioxo67dihydro3H4H25spirobi((1)benzofuran)3yl)N(2(5methoxy2oxo23dihydro1Hindol3yl)ethyl)acetamide
2((2S6R)7chloro46dimethoxy2(4methoxyphenyl)6methyl34dioxo67dihydro3H4H25spirobi(benzofuran)3yl)N(2(5methoxy2oxoindolin3yl)ethyl)acetamide
2((2S6R)7chloro46dimethoxy2(4methoxyphenyl)6methyl34dioxospiro(1benzofuran2567dihydro1benzofuran)3yl)N(2(5methoxy2oxo13dihydroindol3yl)ethyl)acetamide
COc1ccc(cc1)c1oc2c(c1CC(=O)NCCC1C(=O)Nc3c1cc(OC)cc3)C(=O)(C@)1((C@@H)(C2)C)Oc2c(C1=O)c(OC)cc(c2Cl)OC
InChI=1SC38H35ClN2O10c118142730(35(43)38(18)36(44)3126(484)1728(495)32(39)34(31)5138)24(33(5027)196820(462)9719)1629(42)40131222231521(473)101125(23)4137(22)45h61115171822H121416H215H3(H4042)(H4145)t1822?38+m1s1
MFCD32651031
ZINC001848443516
ZINC001848443517
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