Vitas-M small molecule compound
3-(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-{3-(methylsulfonyl)-1-[3-(pyridin-2-yl)-1,2,4-oxadiazol-5-yl]propyl}propanamide
Catalog ID
STL552247
SMILES COc1cc(ccc1O)C(C1=C(O)C2(C(CC1=O)C)Oc1c(C2=O)c(OC)cc(c1Cl)OC)CC(=O)NC(c1onc(n1)c1ccccn1)CCS(=O)(=O)C
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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 C37H37ClN4O12S MW 797.24 g/mol Purity >90% as per NMR
InChI
InChI=1S/C37H37ClN4O12S/c1-18-14-24(44)29(33(46)37(18)34(47)30-26(51-3)17-27(52-4)31(38)32(30)53-37)20(19-9-10-23(43)25(15-19)50-2)16-28(45)40-22(11-13-55(5,48)49)36-41-35(42-54-36)21-8-6-7-12-39-21/h6-10,12,15,17-18,20,22,43,46H,11,13-14,16H2,1-5H3,(H,40InChIKey
IFFPHXBNTAKAGE-UHFFFAOYSA-NSynonyms
135640517
3((1S6R)7chloro2hydroxy46dimethoxy6methyl34dioxo3Hspiro(benzofuran21cyclohex(2)en)3yl)3(4hydroxy3methoxyphenyl)N(3(methylsulfonyl)1(3(pyridin2yl)124oxadiazol5yl)propyl)propanamide
3(7chloro2hydroxy46dimethoxy4methyl36dioxospiro(1benzofuran23cyclohexene)1yl)3(4hydroxy3methoxyphenyl)~(N)(3methylsulfonyl1(3pyridin2yl124oxadiazol5yl)propyl)propanamide
3(7CHLORO2HYDROXY46DIMETHOXY6METHYL34DIOXO3HSPIRO(1BENZOFURAN21CYCLOHEX(2)EN)3YL)3(4HYDROXY3METHOXYPHENYL)N(3(METHYLSULFONYL)1(3(PYRIDIN2YL)124OXADIAZOL5YL)
3(7chloro2hydroxy46dimethoxy6methyl34dioxo3Hspiro(1benzofuran21cyclohex(2)en)3yl)3(4hydroxy3methoxyphenyl)N(3(methylsulfonyl)1(3(pyridin2yl)124oxadiazol5yl)propyl)propanamide
COc1cc(ccc1O)C(C1=C(O)(C@)2((C@@H)(CC1=O)C)Oc1c(C2=O)c(OC)cc(c1Cl)OC)CC(=O)NC(c1onc(n1)c1ccccn1)CCS(=O)(=O)C
InChI=1SC37H37ClN4O12Sc1181424(44)29(33(46)37(18)34(47)3026(513)1727(524)31(38)32(30)5337)20(1991023(43)25(1519)502)1628(45)4022(111355(548)49)364135(425436)21867123921h6101215171820224346H11131416H215H3(H4045)
PROPYL)PROPANAMIDE
ZINC000824595868
ZINC001772492977
Check stock
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