Vitas-M small molecule compound
2-[(2R,6'R)-7-chloro-4,6-dimethoxy-6'-methyl-3,4'-dioxo-2'-phenyl-6',7'-dihydro-3H,4'H-2,5'-spirobi[[1]benzofuran]-3'-yl]-N-[2-(4-methyl-1,3-thiazol-2-yl)ethyl]acetamide
Catalog ID
STL579388
SMILES COc1cc(OC)c(c2c1C(=O)[C@]1(O2)[C@H](C)Cc2c(C1=O)c(CC(=O)NCCc1scc(n1)C)c(o2)c1ccccc1)Cl
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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 C32H29ClN2O7S MW 621.11 g/mol Purity >90% as per NMR
InChI
InChI=1S/C32H29ClN2O7S/c1-16-12-21-25(30(37)32(16)31(38)26-20(39-3)14-22(40-4)27(33)29(26)42-32)19(28(41-21)18-8-6-5-7-9-18)13-23(36)34-11-10-24-35-17(2)15-43-24/h5-9,14-16H,10-13H2,1-4H3,(H,34,36)/t16-,32+/m1/s1InChIKey
PYVOWBCXBIOFCV-FTDQSSOUSA-NSynonyms
2((2R6R)7chloro46dimethoxy6methyl34dioxo2phenyl67dihydro3H4H25spirobi((1)benzofuran)3yl)N(2(4methyl13thiazol2yl)ethyl)acetamide
2((2S6R)7chloro46dimethoxy6methyl34dioxo2phenyl67dihydro3H4H25spirobi(benzofuran)3yl)N(2(4methylthiazol2yl)ethyl)acetamide
COc1cc(OC)c(c2c1C(=O)(C@)1(O2)(C@H)(C)Cc2c(C1=O)c(CC(=O)NCCc1scc(n1)C)c(o2)c1ccccc1)Cl
InChI=1SC32H29ClN2O7Sc116122125(30(37)32(16)31(38)2620(393)1422(404)27(33)29(26)4232)19(28(4121)188657918)1323(36)341110243517(2)154324h591416H1013H214H3(H3436)t1632+m1s1
MFCD33397715
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