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-9-yl)methyl]acetamide
Catalog ID
STL562070
SMILES COc1ccc(cc1)c1oc2c(c1CC(=O)NCc1c3CCN(Cc3c(c3c1OCO3)OC)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 C40H39ClN2O11 MW 759.21 g/mol Purity >90% as per NMR
InChI
InChI=1S/C40H39ClN2O11/c1-19-13-27-30(38(45)40(19)39(46)31-26(48-4)15-28(49-5)32(41)36(31)54-40)23(33(53-27)20-7-9-21(47-3)10-8-20)14-29(44)42-16-24-22-11-12-43(2)17-25(22)34(50-6)37-35(24)51-18-52-37/h7-10,15,19H,11-14,16-18H2,1-6H3,(H,42,44)/t19-,40+/m1InChIKey
AANKJAYWDAHUKJ-XUVIOLNSSA-NSynonyms
145705421
2((2R6R)7chloro46dimethoxy2(4methoxyphenyl)6methyl34dioxo67dihydro3H4H25spirobi((1)benzofuran)3yl)N((4methoxy6methyl5678tetrahydro(13)dioxolo(45g)isoquinolin9yl)methyl)acetamide
2((2S6R)7chloro46dimethoxy2(4methoxyphenyl)6methyl34dioxo67dihydro3H4H25spirobi(benzofuran)3yl)N((4methoxy6methyl5678tetrahydro(13)dioxolo(45g)isoquinolin9yl)methyl)acetamide
2((2S6R)7chloro46dimethoxy2(4methoxyphenyl)6methyl34dioxospiro(1benzofuran2567dihydro1benzofuran)3yl)N((4methoxy6methyl78dihydro5H(13)dioxolo(45g)isoquinolin9yl)methyl)acetamide
COc1ccc(cc1)c1oc2c(c1CC(=O)NCc1c3CCN(Cc3c(c3c1OCO3)OC)C)C(=O)(C@)1((C@@H)(C2)C)Oc2c(C1=O)c(OC)cc(c2Cl)OC
InChI=1SC40H39ClN2O11c119132730(38(45)40(19)39(46)3126(484)1528(495)32(41)36(31)5440)23(33(5327)207921(473)10820)1429(44)42162422111243(2)1725(22)34(506)3735(24)51185237h7101519H11141618H216H3(H4244)t1940+m1s1
MFCD32651124
OLIN9YL)METHYL)ACETAMIDE
ZINC001848443245
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