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-(methylsulfanyl)phenyl]propanamide
Catalog ID
STL551707
SMILES CSc1ccc(cc1)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 C36H34ClN3O9S MW 720.20 g/mol Purity >90% as per NMR
InChI
InChI=1S/C36H34ClN3O9S/c1-18-15-24(41)28(32(43)36(18)33(44)29-25(47-2)17-26(48-3)30(37)31(29)49-36)21(19-9-11-20(50-4)12-10-19)16-27(42)38-13-14-40-23-8-6-5-7-22(23)39-34(45)35(40)46/h5-12,17-18,21,43H,13-16H2,1-4H3,(H,38,42)(H,39,45)/t18-,21?,36+/m1/s1InChIKey
LYVLGYSQSVDHAH-GWAAEDKGSA-NSynonyms
135640061
3((2~(S)4~(R))7chloro2hydroxy46dimethoxy4methyl36dioxospiro(1benzofuran23cyclohexene)1yl)~(N)(2(23dioxo4~(H)quinoxalin1yl)ethyl)3(4methylsulfanylphenyl)propanamide
3((2S6R)7CHLORO2HYDROXY46DIMETHOXY6METHYL34DIOXO3HSPIRO(1BENZOFURAN21CYCLOHEX(2)EN)3YL)N(2(23DIOXO34DIHYDROQUINOXALIN1(2H)YL)ETHYL)3(4(METHYLSULFANYL)PHENYL)PR
3((2S6R)7chloro2hydroxy46dimethoxy6methyl34dioxo3Hspiro(1benzofuran21cyclohex(2)en)3yl)N(2(23dioxo34dihydroquinoxalin1(2H)yl)ethyl)3(4(methylsulfanyl)phenyl)propanamide
InChI=1SC36H34ClN3O9Sc1181524(41)28(32(43)36(18)33(44)2925(472)1726(483)30(37)31(29)4936)21(1991120(504)121019)1627(42)3813144023865722(23)3934(45)35(40)46h51217182143H1316H214H3(H3842)(H3945)t1821?36+m1s1
ZINC001547138457
ZINC001547138459
Check stock
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Check stock on Vitas-MAvailable files
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