Vitas-M small molecule compound
N~2~-{[(2R,6'R)-7-chloro-4,6-dimethoxy-2'-(4-methoxyphenyl)-6'-methyl-3,4'-dioxo-6',7'-dihydro-3H,4'H-2,5'-spirobi[[1]benzofuran]-3'-yl]acetyl}-N-pyridin-2-ylglycinamide
Catalog ID
STL561899
SMILES COc1ccc(cc1)c1oc2c(c1CC(=O)NCC(=O)Nc1ccccn1)C(=O)[C@]1([C@@H](C2)C)Oc2c(C1=O)c(OC)cc(c2Cl)OC
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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 C34H30ClN3O9 MW 660.08 g/mol Purity >90% as per NMR
InChI
InChI=1S/C34H30ClN3O9/c1-17-13-22-27(32(41)34(17)33(42)28-21(44-3)15-23(45-4)29(35)31(28)47-34)20(30(46-22)18-8-10-19(43-2)11-9-18)14-25(39)37-16-26(40)38-24-7-5-6-12-36-24/h5-12,15,17H,13-14,16H2,1-4H3,(H,37,39)(H,36,38,40)/t17-,34+/m1/s1InChIKey
MKIFITLMNZEFOO-WGLOFEKDSA-NSynonyms
145705253
2((2S6R)7chloro46dimethoxy2(4methoxyphenyl)6methyl34dioxo67dihydro3H4H25spirobi(benzofuran)3yl)N(2oxo2(pyridin2ylamino)ethyl)acetamide
2((2S6R)7chloro46dimethoxy2(4methoxyphenyl)6methyl34dioxospiro(1benzofuran2567dihydro1benzofuran)3yl)N(2oxo2(pyridin2ylamino)ethyl)acetamide
COc1ccc(cc1)c1oc2c(c1CC(=O)NCC(=O)Nc1ccccn1)C(=O)(C@)1((C@@H)(C2)C)Oc2c(C1=O)c(OC)cc(c2Cl)OC
InChI=1SC34H30ClN3O9c117132227(32(41)34(17)33(42)2821(443)1523(454)29(35)31(28)4734)20(30(4622)1881019(432)11918)1425(39)371626(40)3824756123624h5121517H131416H214H3(H3739)(H363840)t1734+m1s1
MFCD32650958
N~2~(((2R6R)7chloro46dimethoxy2(4methoxyphenyl)6methyl34dioxo67dihydro3H4H25spirobi((1)benzofuran)3yl)acetyl)Npyridin2ylglycinamide
N2(((2R6R)7CHLORO46DIMETHOXY2(4METHOXYPHENYL)6METHYL34DIOXO67DIHYDRO3H4H25SPIROBI((1)BENZOFURAN)3YL)ACETYL)NPYRIDIN2YLGLYCINAMIDE
ZINC001848443384
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