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-{2-[3-(pyridin-2-yl)-1,2,4-oxadiazol-5-yl]ethyl}propanamide
Catalog ID
STL552398
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)c1ccccn1
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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 C35H33ClN4O10 MW 705.12 g/mol Purity >90% as per NMR
InChI
InChI=1S/C35H33ClN4O10/c1-17-13-22(42)28(32(44)35(17)33(45)29-24(47-3)16-25(48-4)30(36)31(29)49-35)19(18-8-9-21(41)23(14-18)46-2)15-26(43)38-12-10-27-39-34(40-50-27)20-7-5-6-11-37-20/h5-9,11,14,16-17,19,41,44H,10,12-13,15H2,1-4H3,(H,38,43)/t17-,19?,35+/m1InChIKey
MWUFTIZNLCYJSD-OPUSVBKHSA-NSynonyms
132352377
3((1S6R)7chloro2hydroxy46dimethoxy6methyl34dioxo3Hspiro(benzofuran21cyclohex(2)en)3yl)3(4hydroxy3methoxyphenyl)N(2(3(pyridin2yl)124oxadiazol5yl)ethyl)propanamide
3((2~(S)4~(R))7chloro2hydroxy46dimethoxy4methyl36dioxospiro(1benzofuran23cyclohexene)1yl)3(4hydroxy3methoxyphenyl)~(N)(2(3pyridin2yl124oxadiazol5yl)ethyl)propanamide
3((2S6R)7CHLORO2HYDROXY46DIMETHOXY6METHYL34DIOXO3HSPIRO(1BENZOFURAN21CYCLOHEX(2)EN)3YL)3(4HYDROXY3METHOXYPHENYL)N(2(3(PYRIDIN2YL)124OXADIAZOL5YL)ETHYL)PROP
3((2S6R)7chloro2hydroxy46dimethoxy6methyl34dioxo3Hspiro(1benzofuran21cyclohex(2)en)3yl)3(4hydroxy3methoxyphenyl)N(2(3(pyridin2yl)124oxadiazol5yl)ethyl)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)c1ccccn1
InChI=1SC35H33ClN4O10c1171322(42)28(32(44)35(17)33(45)2924(473)1625(484)30(36)31(29)4935)19(188921(41)23(1418)462)1526(43)381210273934(405027)20756113720h5911141617194144H10121315H214H3(H3843)t1719?35+m1s1
ZINC000824596123
ZINC000824596131
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