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]-3-(4-hydroxy-3-methoxyphenyl)-N-[1-(3-methyl-1,2,4-oxadiazol-5-yl)-3-(methylsulfanyl)propyl]propanamide
Catalog ID
STL552614
SMILES CSCCC(c1onc(n1)C)NC(=O)CC(C1=C(O)[C@]2([C@@H](CC1=O)C)Oc1c(C2=O)c(OC)cc(c1Cl)OC)c1ccc(c(c1)OC)O
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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 C33H36ClN3O10S MW 702.18 g/mol Purity >90% as per NMR
InChI
InChI=1S/C33H36ClN3O10S/c1-15-11-21(39)26(30(41)33(15)31(42)27-23(44-4)14-24(45-5)28(34)29(27)46-33)18(17-7-8-20(38)22(12-17)43-3)13-25(40)36-19(9-10-48-6)32-35-16(2)37-47-32/h7-8,12,14-15,18-19,38,41H,9-11,13H2,1-6H3,(H,36,40)/t15-,18?,19?,33+/m1/s1InChIKey
INOASZMUWRGGCG-ONKGGJLKSA-NSynonyms
132351918
3((1S6R)7chloro2hydroxy46dimethoxy6methyl34dioxo3Hspiro(benzofuran21cyclohex(2)en)3yl)3(4hydroxy3methoxyphenyl)N(1(3methyl124oxadiazol5yl)3(methylthio)propyl)propanamide
3((2~(S)4~(R))7chloro2hydroxy46dimethoxy4methyl36dioxospiro(1benzofuran23cyclohexene)1yl)3(4hydroxy3methoxyphenyl)~(N)(1(3methyl124oxadiazol5yl)3methylsulfanylpropyl)propanamide
3((2S6R)7CHLORO2HYDROXY46DIMETHOXY6METHYL34DIOXO3HSPIRO(1BENZOFURAN21CYCLOHEX(2)EN)3YL)3(4HYDROXY3METHOXYPHENYL)N(1(3METHYL124OXADIAZOL5YL)3(METHYLSULFANYL
3((2S6R)7chloro2hydroxy46dimethoxy6methyl34dioxo3Hspiro(1benzofuran21cyclohex(2)en)3yl)3(4hydroxy3methoxyphenyl)N(1(3methyl124oxadiazol5yl)3(methylsulfanyl)propyl)propanamide
CSCCC(c1onc(n1)C)NC(=O)CC(C1=C(O)(C@)2((C@@H)(CC1=O)C)Oc1c(C2=O)c(OC)cc(c1Cl)OC)c1ccc(c(c1)OC)O
InChI=1SC33H36ClN3O10Sc1151121(39)26(30(41)33(15)31(42)2723(444)1424(455)28(34)29(27)4633)18(177820(38)22(1217)433)1325(40)3619(910486)323516(2)374732h7812141518193841H91113H216H3(H3640)t1518?19?33+m1s1
ZINC000824896177
ZINC000824896210
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