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-(2,2-dimethoxyethyl)acetamide
Catalog ID
STL561871
SMILES COC(CNC(=O)Cc1c(oc2c1C(=O)[C@]1([C@@H](C2)C)Oc2c(C1=O)c(OC)cc(c2Cl)OC)c1ccc(cc1)OC)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 C31H32ClNO10 MW 614.05 g/mol Purity >90% as per NMR
InChI
InChI=1S/C31H32ClNO10/c1-15-11-20-24(29(35)31(15)30(36)25-19(38-3)13-21(39-4)26(32)28(25)43-31)18(12-22(34)33-14-23(40-5)41-6)27(42-20)16-7-9-17(37-2)10-8-16/h7-10,13,15,23H,11-12,14H2,1-6H3,(H,33,34)/t15-,31+/m1/s1InChIKey
KKBIOOHJJDOMLY-QLCIJSRNSA-NSynonyms
145705225
2((2R6R)7chloro46dimethoxy2(4methoxyphenyl)6methyl34dioxo67dihydro3H4H25spirobi((1)benzofuran)3yl)N(22dimethoxyethyl)acetamide
2((2S6R)7chloro46dimethoxy2(4methoxyphenyl)6methyl34dioxo67dihydro3H4H25spirobi(benzofuran)3yl)N(22dimethoxyethyl)acetamide
2((2S6R)7chloro46dimethoxy2(4methoxyphenyl)6methyl34dioxospiro(1benzofuran2567dihydro1benzofuran)3yl)N(22dimethoxyethyl)acetamide
COC(CNC(=O)Cc1c(oc2c1C(=O)(C@)1((C@@H)(C2)C)Oc2c(C1=O)c(OC)cc(c2Cl)OC)c1ccc(cc1)OC)OC
InChI=1SC31H32ClNO10c115112024(29(35)31(15)30(36)2519(383)1321(394)26(32)28(25)4331)18(1222(34)331423(405)416)27(4220)167917(372)10816h710131523H111214H216H3(H3334)t1531+m1s1
MFCD32650931
ZINC001848442821
Check stock
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Check stock on Vitas-MAvailable files
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