Vitas-M small molecule compound
N-[(1S)-1-(1H-benzimidazol-2-yl)-2-methylbutyl]-2-[2-(4-methoxyphenyl)-5-methyl-7-oxo-7H-furo[3,2-b]pyran-3-yl]acetamide
Catalog ID
STL567816
SMILES COc1ccc(cc1)c1oc2c(c1CC(=O)N[C@H](c1nc3c([nH]1)cccc3)[C@H](CC)C)oc(cc2=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 C29H29N3O5 MW 499.57 g/mol Purity >90% as per NMR
InChI
InChI=1S/C29H29N3O5/c1-5-16(2)25(29-30-21-8-6-7-9-22(21)31-29)32-24(34)15-20-26(18-10-12-19(35-4)13-11-18)37-28-23(33)14-17(3)36-27(20)28/h6-14,16,25H,5,15H2,1-4H3,(H,30,31)(H,32,34)/t16-,25-/m0/s1InChIKey
KHMKAWXOAGVPJG-LMKMVOKYSA-NSynonyms
132351646
COc1ccc(cc1)c1oc2c(c1CC(=O)N(C@H)(c1nc3c((nH)1)cccc3)(C@H)(CC)C)oc(cc2=O)C
InChI=1SC29H29N3O5c1516(2)25(293021867922(21)3129)3224(34)152026(18101219(354)131118)372823(33)1417(3)3627(20)28h6141625H515H214H3(H3031)(H3234)t1625m0s1
MFCD32652992
N((1S)1(1Hbenzimidazol2yl)2methylbutyl)2(2(4methoxyphenyl)5methyl7oxo7Hfuro(32b)pyran3yl)acetamide
N((1S2S)1(1Hbenzimidazol2yl)2methylbutyl)2(2(4methoxyphenyl)5methyl7oxofuro(32b)pyran3yl)acetamide
N((1S2S)1(1Hbenzo(d)imidazol2yl)2methylbutyl)2(2(4methoxyphenyl)5methyl7oxo7Hfuro(32b)pyran3yl)acetamide
ZINC000824692104
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