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-[(4-methoxy-6-methyl-5,6,7,8-tetrahydro[1,3]dioxolo[4,5-g]isoquinolin-5-yl)methyl]acetamide
Catalog ID
STL561669
SMILES COc1ccc(cc1)c1oc2c(c1CC(=O)NCC1N(C)CCc3c1c(OC)c1c(c3)OCO1)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 C40H39ClN2O11 MW 759.21 g/mol Purity >90% as per NMR
InChI
InChI=1S/C40H39ClN2O11/c1-19-13-26-31(38(45)40(19)39(46)32-25(48-4)16-27(49-5)33(41)36(32)54-40)23(34(53-26)20-7-9-22(47-3)10-8-20)15-29(44)42-17-24-30-21(11-12-43(24)2)14-28-35(37(30)50-6)52-18-51-28/h7-10,14,16,19,24H,11-13,15,17-18H2,1-6H3,(H,42,44)/t1InChIKey
YDDJBANEDWGQAK-IKCCESKMSA-NSynonyms
145705026
2((2R6R)7chloro46dimethoxy2(4methoxyphenyl)6methyl34dioxo67dihydro3H4H25spirobi((1)benzofuran)3yl)N((4methoxy6methyl5678tetrahydro(13)dioxolo(45g)isoquinolin5yl)methyl)acetamide
2((2S6R)7chloro46dimethoxy2(4methoxyphenyl)6methyl34dioxo67dihydro3H4H25spirobi(benzofuran)3yl)N((4methoxy6methyl5678tetrahydro(13)dioxolo(45g)isoquinolin5yl)methyl)acetamide
2((2S6R)7chloro46dimethoxy2(4methoxyphenyl)6methyl34dioxospiro(1benzofuran2567dihydro1benzofuran)3yl)N((4methoxy6methyl78dihydro5H(13)dioxolo(45g)isoquinolin5yl)methyl)acetamide
COc1ccc(cc1)c1oc2c(c1CC(=O)NCC1N(C)CCc3c1c(OC)c1c(c3)OCO1)C(=O)(C@)1((C@@H)(C2)C)Oc2c(C1=O)c(OC)cc(c2Cl)OC
InChI=1SC40H39ClN2O11c119132631(38(45)40(19)39(46)3225(484)1627(495)33(41)36(32)5440)23(34(5326)207922(473)10820)1529(44)4217243021(111243(24)2)142835(37(30)506)52185128h71014161924H1113151718H216H3(H4244)t1924?40+m1s1
MFCD32650734
OLIN5YL)METHYL)ACETAMIDE
ZINC001848443172
ZINC001848443173
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