Vitas-M small molecule compound
3-[(7-chloro-4,6-dimethoxy-6'-methyl-2',3-dioxo-3H-spiro[1-benzofuran-2,1'-cyclohex[3]en]-4'-yl)amino]-N-ethyl-4-[(1S,5R)-8-oxo-1,5,6,8-tetrahydro-2H-1,5-methanopyrido[1,2-a][1,5]diazocin-3(4H)-yl]benzamide
Catalog ID
STL549655
SMILES CCNC(=O)c1ccc(c(c1)NC1=CC(=O)C2(C(C1)C)Oc1c(C2=O)c(OC)cc(c1Cl)OC)N1C[C@H]2C[C@@H](C1)c1n(C2)c(=O)ccc1
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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 C36H37ClN4O7 MW 673.17 g/mol Purity >90% as per NMR
InChI
InChI=1S/C36H37ClN4O7/c1-5-38-35(45)21-9-10-26(40-16-20-12-22(18-40)25-7-6-8-30(43)41(25)17-20)24(13-21)39-23-11-19(2)36(29(42)14-23)34(44)31-27(46-3)15-28(47-4)32(37)33(31)48-36/h6-10,13-15,19-20,22,39H,5,11-12,16-18H2,1-4H3,(H,38,45)/t19?,20-,22+,36?/m1InChIKey
FDVGJAVKFPSQDF-ONQMORCJSA-NSynonyms
132285820
3(((1S6R)7chloro46dimethoxy6methyl23dioxo3Hspiro(benzofuran21cyclohex(3)en)4yl)amino)Nethyl4((1R5S)8oxo56dihydro1H15methanopyrido(12a)(15)diazocin3(2H4H8H)yl)benzamide
3((7chloro46dimethoxy5methyl33dioxospiro(1benzofuran24cyclohexene)1yl)amino)~(N)ethyl4((1~(S)9~(R))6oxo711diazatricyclo(7310^(27))trideca24dien11yl)benzamide
3((7chloro46dimethoxy6methyl23dioxo3Hspiro(1benzofuran21cyclohex(3)en)4yl)amino)Nethyl4((1S5R)8oxo1568tetrahydro2H15methanopyrido(12a)(15)diazocin3(4H)yl)benzamide
CCNC(=O)c1ccc(c(c1)NC1=CC(=O)(C@)2((C@@H)(C1)C)Oc1c(C2=O)c(OC)cc(c1Cl)OC)N1C(C@H)2C(C@@H)(C1)c1n(C2)c(=O)ccc1
InChI=1SC36H37ClN4O7c153835(45)2191026(4016201222(1840)2576830(43)41(25)1720)24(1321)39231119(2)36(29(42)1423)34(44)3127(463)1528(474)32(37)33(31)4836h610131519202239H511121618H214H3(H3845)t19?2022+36?m1s1
ZAMIDE
ZINC000604404327
ZINC000888088537
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