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-{[3-(furan-2-yl)-1,2,4-oxadiazol-5-yl]methyl}-3-(4-hydroxy-3-methoxyphenyl)propanamide
Catalog ID
STL552066
SMILES COc1cc(ccc1O)C(C1=C(O)[C@]2([C@@H](CC1=O)C)Oc1c(C2=O)c(OC)cc(c1Cl)OC)CC(=O)NCc1onc(n1)c1ccco1
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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 C33H30ClN3O11 MW 680.07 g/mol Purity >90% as per NMR
InChI
InChI=1S/C33H30ClN3O11/c1-15-10-19(39)26(30(41)33(15)31(42)27-22(44-3)13-23(45-4)28(34)29(27)47-33)17(16-7-8-18(38)21(11-16)43-2)12-24(40)35-14-25-36-32(37-48-25)20-6-5-9-46-20/h5-9,11,13,15,17,38,41H,10,12,14H2,1-4H3,(H,35,40)/t15-,17?,33+/m1/s1InChIKey
QJBXBYRIRMNNSL-GKEYDMBISA-NSynonyms
132351908
3((1S6R)7chloro2hydroxy46dimethoxy6methyl34dioxo3Hspiro(benzofuran21cyclohex(2)en)3yl)N((3(furan2yl)124oxadiazol5yl)methyl)3(4hydroxy3methoxyphenyl)propanamide
3((2~(S)4~(R))7chloro2hydroxy46dimethoxy4methyl36dioxospiro(1benzofuran23cyclohexene)1yl)~(N)((3(furan2yl)124oxadiazol5yl)methyl)3(4hydroxy3methoxyphenyl)propanamide
3((2S6R)7CHLORO2HYDROXY46DIMETHOXY6METHYL34DIOXO3HSPIRO(1BENZOFURAN21CYCLOHEX(2)EN)3YL)N((3(FURAN2YL)124OXADIAZOL5YL)METHYL)3(4HYDROXY3METHOXYPHENYL)PROPANA
3((2S6R)7chloro2hydroxy46dimethoxy6methyl34dioxo3Hspiro(1benzofuran21cyclohex(2)en)3yl)N((3(furan2yl)124oxadiazol5yl)methyl)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)NCc1onc(n1)c1ccco1
InChI=1SC33H30ClN3O11c1151019(39)26(30(41)33(15)31(42)2722(443)1323(454)28(34)29(27)4733)17(167818(38)21(1116)432)1224(40)3514253632(374825)206594620h59111315173841H101214H214H3(H3540)t1517?33+m1s1
ZINC000824596409
ZINC000824596420
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