Vitas-M small molecule compound
3-[(2S,6'R)-7-chloro-2'-hydroxy-4,6-dimethoxy-6'-methyl-3,4'-dioxo-3H-spiro[1-benzofuran-2,1'-cyclohex[2]en]-3'-yl]-N-[(2-phenyl-1,3-thiazol-4-yl)methyl]-3-(3,4,5-trimethoxyphenyl)propanamide
Catalog ID
STL561620
SMILES COc1cc(cc(c1OC)OC)C(C1=C(O)[C@]2([C@@H](CC1=O)C)Oc1c(C2=O)c(OC)cc(c1Cl)OC)CC(=O)NCc1csc(n1)c1ccccc1
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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 C38H37ClN2O10S MW 749.24 g/mol Purity >90% as per NMR
InChI
InChI=1S/C38H37ClN2O10S/c1-19-12-24(42)30(35(44)38(19)36(45)31-25(46-2)16-26(47-3)32(39)34(31)51-38)23(21-13-27(48-4)33(50-6)28(14-21)49-5)15-29(43)40-17-22-18-52-37(41-22)20-10-8-7-9-11-20/h7-11,13-14,16,18-19,23,44H,12,15,17H2,1-6H3,(H,40,43)/t19-,23?,3InChIKey
VEZPYXRLDJIIDP-CBZVNVCHSA-NSynonyms
145704977
3((1S6R)7chloro2hydroxy46dimethoxy6methyl34dioxo3Hspiro(benzofuran21cyclohex(2)en)3yl)N((2phenylthiazol4yl)methyl)3(345trimethoxyphenyl)propanamide
3((2S4R)7chloro2hydroxy46dimethoxy4methyl36dioxospiro(1benzofuran23cyclohexene)1yl)N((2phenyl13thiazol4yl)methyl)3(345trimethoxyphenyl)propanamide
3((2S6R)7chloro2hydroxy46dimethoxy6methyl34dioxo3Hspiro(1benzofuran21cyclohex(2)en)3yl)N((2phenyl13thiazol4yl)methyl)3(345trimethoxyphenyl)propanamide
COc1cc(cc(c1OC)OC)C(C1=C(O)(C@)2((C@@H)(CC1=O)C)Oc1c(C2=O)c(OC)cc(c1Cl)OC)CC(=O)NCc1csc(n1)c1ccccc1
InChI=1SC38H37ClN2O10Sc1191224(42)30(35(44)38(19)36(45)3125(462)1626(473)32(39)34(31)5138)23(211327(484)33(506)28(1421)495)1529(43)401722185237(4122)20108791120h71113141618192344H121517H216H3(H4043)t1923?38+m1s1
MFCD32650685
ZINC001848443097
ZINC001848443098
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