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-(2,3-dioxo-3,4-dihydroquinoxalin-1(2H)-yl)ethyl]-3-(4-hydroxy-3-methoxyphenyl)propanamide
Catalog ID
STL552128
SMILES COc1cc(ccc1O)C(C1=C(O)[C@]2([C@@H](CC1=O)C)Oc1c(C2=O)c(OC)cc(c1Cl)OC)CC(=O)NCCn1c(=O)c(=O)[nH]c2c1cccc2
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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 C36H34ClN3O11 MW 720.13 g/mol Purity >90% as per NMR
InChI
InChI=1S/C36H34ClN3O11/c1-17-13-23(42)28(32(44)36(17)33(45)29-25(49-3)16-26(50-4)30(37)31(29)51-36)19(18-9-10-22(41)24(14-18)48-2)15-27(43)38-11-12-40-21-8-6-5-7-20(21)39-34(46)35(40)47/h5-10,14,16-17,19,41,44H,11-13,15H2,1-4H3,(H,38,43)(H,39,46)/t17-,19?InChIKey
KUHDVTYRRXYCMT-RKMOUVSBSA-NSynonyms
132351904
3((2~(S)4~(R))7chloro2hydroxy46dimethoxy4methyl36dioxospiro(1benzofuran23cyclohexene)1yl)~(N)(2(23dioxo4~(H)quinoxalin1yl)ethyl)3(4hydroxy3methoxyphenyl)propanamide
3((2S6R)7CHLORO2HYDROXY46DIMETHOXY6METHYL34DIOXO3HSPIRO(1BENZOFURAN21CYCLOHEX(2)EN)3YL)N(2(23DIOXO34DIHYDROQUINOXALIN1(2H)YL)ETHYL)3(4HYDROXY3METHOXYPHENYL)P
3((2S6R)7chloro2hydroxy46dimethoxy6methyl34dioxo3Hspiro(1benzofuran21cyclohex(2)en)3yl)N(2(23dioxo34dihydroquinoxalin1(2H)yl)ethyl)3(4hydroxy3methoxyphenyl)propanamide
InChI=1SC36H34ClN3O11c1171323(42)28(32(44)36(17)33(45)2925(493)1626(504)30(37)31(29)5136)19(1891022(41)24(1418)482)1527(43)3811124021865720(21)3934(46)35(40)47h510141617194144H111315H214H3(H3843)(H3946)t1719?36+m1s1
ZINC000824595900
ZINC000824595902
Check stock
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