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-(methylsulfanyl)phenyl]-N-{[3-(pyridin-4-yl)-1,2,4-oxadiazol-5-yl]methyl}propanamide
Catalog ID
STL552631
SMILES CSc1ccc(cc1)C(C1=C(O)[C@]2([C@@H](CC1=O)C)Oc1c(C2=O)c(OC)cc(c1Cl)OC)CC(=O)NCc1onc(n1)c1ccncc1
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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 C34H31ClN4O8S MW 691.16 g/mol Purity >90% as per NMR
InChI
InChI=1S/C34H31ClN4O8S/c1-17-13-22(40)27(31(42)34(17)32(43)28-23(44-2)15-24(45-3)29(35)30(28)46-34)21(18-5-7-20(48-4)8-6-18)14-25(41)37-16-26-38-33(39-47-26)19-9-11-36-12-10-19/h5-12,15,17,21,42H,13-14,16H2,1-4H3,(H,37,41)/t17-,21?,34+/m1/s1InChIKey
NTVMBFLOSJVZIN-LQRWZQJUSA-NSynonyms
135640834
3((1S6R)7chloro2hydroxy46dimethoxy6methyl34dioxo3Hspiro(benzofuran21cyclohex(2)en)3yl)3(4(methylthio)phenyl)N((3(pyridin4yl)124oxadiazol5yl)methyl)propanamide
3((2~(S)4~(R))7chloro2hydroxy46dimethoxy4methyl36dioxospiro(1benzofuran23cyclohexene)1yl)3(4methylsulfanylphenyl)~(N)((3pyridin4yl124oxadiazol5yl)methyl)propanamide
3((2S6R)7CHLORO2HYDROXY46DIMETHOXY6METHYL34DIOXO3HSPIRO(1BENZOFURAN21CYCLOHEX(2)EN)3YL)3(4(METHYLSULFANYL)PHENYL)N((3(PYRIDIN4YL)124OXADIAZOL5YL)METHYL)PROPAN
3((2S6R)7chloro2hydroxy46dimethoxy6methyl34dioxo3Hspiro(1benzofuran21cyclohex(2)en)3yl)3(4(methylsulfanyl)phenyl)N((3(pyridin4yl)124oxadiazol5yl)methyl)propanamide
CSc1ccc(cc1)C(C1=C(O)(C@)2((C@@H)(CC1=O)C)Oc1c(C2=O)c(OC)cc(c1Cl)OC)CC(=O)NCc1onc(n1)c1ccncc1
InChI=1SC34H31ClN4O8Sc1171322(40)27(31(42)34(17)32(43)2823(442)1524(453)29(35)30(28)4634)21(185720(484)8618)1425(41)3716263833(394726)1991136121019h51215172142H131416H214H3(H3741)t1721?34+m1s1
ZINC001547138598
ZINC001547138599
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