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-[3-(3,4-dimethoxyphenyl)-1,2,4-oxadiazol-5-yl]ethyl}-3-(4-hydroxy-3-methoxyphenyl)propanamide
Catalog ID
STL551871
SMILES COc1cc(ccc1O)C(C1=C(O)[C@]2([C@@H](CC1=O)C)Oc1c(C2=O)c(OC)cc(c1Cl)OC)CC(=O)NCCc1onc(n1)c1ccc(c(c1)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 C38H38ClN3O12 MW 764.19 g/mol Purity >90% as per NMR
InChI
InChI=1S/C38H38ClN3O12/c1-18-13-23(44)31(35(46)38(18)36(47)32-27(51-5)17-28(52-6)33(39)34(32)53-38)21(19-7-9-22(43)25(14-19)49-3)16-29(45)40-12-11-30-41-37(42-54-30)20-8-10-24(48-2)26(15-20)50-4/h7-10,14-15,17-18,21,43,46H,11-13,16H2,1-6H3,(H,40,45)/t18-,InChIKey
YLPXHNOXIDOCBX-QFQUDPCISA-NSynonyms
135640204
3((1S6R)7chloro2hydroxy46dimethoxy6methyl34dioxo3Hspiro(benzofuran21cyclohex(2)en)3yl)N(2(3(34dimethoxyphenyl)124oxadiazol5yl)ethyl)3(4hydroxy3methoxyphenyl)propanamide
3((2~(S)4~(R))7chloro2hydroxy46dimethoxy4methyl36dioxospiro(1benzofuran23cyclohexene)1yl)~(N)(2(3(34dimethoxyphenyl)124oxadiazol5yl)ethyl)3(4hydroxy3methoxyphenyl)propanamide
3((2S6R)7CHLORO2HYDROXY46DIMETHOXY6METHYL34DIOXO3HSPIRO(1BENZOFURAN21CYCLOHEX(2)EN)3YL)N(2(3(34DIMETHOXYPHENYL)124OXADIAZOL5YL)ETHYL)3(4HYDROXY3METHOXYPHEN
3((2S6R)7chloro2hydroxy46dimethoxy6methyl34dioxo3Hspiro(1benzofuran21cyclohex(2)en)3yl)N(2(3(34dimethoxyphenyl)124oxadiazol5yl)ethyl)3(4hydroxy3methoxyphenyl)propanamide
COc1cc(ccc1O)C(C1=C(O)(C@)2((C@@H)(CC1=O)C)Oc1c(C2=O)c(OC)cc(c1Cl)OC)CC(=O)NCCc1onc(n1)c1ccc(c(c1)OC)OC
InChI=1SC38H38ClN3O12c1181323(44)31(35(46)38(18)36(47)3227(515)1728(526)33(39)34(32)5338)21(197922(43)25(1419)493)1629(45)401211304137(425430)2081024(482)26(1520)504h71014151718214346H111316H216H3(H4045)t1821?38+m1s1
ZINC001547139709
ZINC001547139710
Check stock
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