Vitas-M small molecule compound
(2S,6'R)-7-chloro-4,6-dimethoxy-4'-[(3-methoxypropyl)(pyridin-2-ylmethyl)amino]-6'-methyl-2'H,3H-spiro[1-benzofuran-2,1'-cyclohex[3]ene]-2',3-dione
Catalog ID
STL552260
SMILES COCCCN(C1=CC(=O)[C@]2([C@@H](C1)C)Oc1c(C2=O)c(OC)cc(c1Cl)OC)Cc1ccccn1
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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 C26H29ClN2O6 MW 500.98 g/mol Purity >90% as per NMR
InChI
InChI=1S/C26H29ClN2O6/c1-16-12-18(29(10-7-11-32-2)15-17-8-5-6-9-28-17)13-21(30)26(16)25(31)22-19(33-3)14-20(34-4)23(27)24(22)35-26/h5-6,8-9,13-14,16H,7,10-12,15H2,1-4H3/t16-,26+/m1/s1InChIKey
CSJOCHZJPHAHFE-DXPJPUQTSA-NSynonyms
(1S6R)7chloro46dimethoxy4((3methoxypropyl)(pyridin2ylmethyl)amino)6methyl3Hspiro(benzofuran21cyclohex(3)ene)23dione
(2~(S)5~(R))7chloro46dimethoxy3(3methoxypropyl(pyridin2ylmethyl)amino)5methylspiro(1benzofuran26cyclohex2ene)13dione
(2S6R)7chloro46dimethoxy4((3methoxypropyl)(pyridin2ylmethyl)amino)6methyl2H3Hspiro(1benzofuran21cyclohex(3)ene)23dione
132352372
COCCCN(C1=CC(=O)(C@)2((C@@H)(C1)C)Oc1c(C2=O)c(OC)cc(c1Cl)OC)Cc1ccccn1
InChI=1SC26H29ClN2O6c1161218(29(10711322)151785692817)1321(30)26(16)25(31)2219(333)1420(344)23(27)24(22)3526h5689131416H7101215H214H3t1626+m1s1
ZINC000824389824
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