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-[(1,3-dimethyl-2,6-dioxo-1,2,3,6-tetrahydropyrimidin-4-yl)methyl]acetamide
Catalog ID
STL561938
SMILES COc1ccc(cc1)c1oc2c(c1CC(=O)NCc1cc(=O)n(c(=O)n1C)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 C34H32ClN3O10 MW 678.09 g/mol Purity >90% as per NMR
InChI
InChI=1S/C34H32ClN3O10/c1-16-11-22-26(31(41)34(16)32(42)27-21(45-5)14-23(46-6)28(35)30(27)48-34)20(29(47-22)17-7-9-19(44-4)10-8-17)13-24(39)36-15-18-12-25(40)38(3)33(43)37(18)2/h7-10,12,14,16H,11,13,15H2,1-6H3,(H,36,39)/t16-,34+/m1/s1InChIKey
UJUDXUFGFZUMIX-RZCFMFBHSA-NSynonyms
145705292
2((2R6R)7chloro46dimethoxy2(4methoxyphenyl)6methyl34dioxo67dihydro3H4H25spirobi((1)benzofuran)3yl)N((13dimethyl26dioxo1236tetrahydropyrimidin4yl)methyl)acetamide
2((2S6R)7chloro46dimethoxy2(4methoxyphenyl)6methyl34dioxo67dihydro3H4H25spirobi(benzofuran)3yl)N((13dimethyl26dioxo1236tetrahydropyrimidin4yl)methyl)acetamide
2((2S6R)7chloro46dimethoxy2(4methoxyphenyl)6methyl34dioxospiro(1benzofuran2567dihydro1benzofuran)3yl)N((13dimethyl26dioxopyrimidin4yl)methyl)acetamide
COc1ccc(cc1)c1oc2c(c1CC(=O)NCc1cc(=O)n(c(=O)n1C)C)C(=O)(C@)1((C@@H)(C2)C)Oc2c(C1=O)c(OC)cc(c2Cl)OC
InChI=1SC34H32ClN3O10c116112226(31(41)34(16)32(42)2721(455)1423(466)28(35)30(27)4834)20(29(4722)177919(444)10817)1324(39)3615181225(40)38(3)33(43)37(18)2h710121416H111315H216H3(H3639)t1634+m1s1
MFCD32650996
ZINC001848443461
Check stock
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