Vitas-M small molecule compound
5-ethyl-N-{(2S)-1-[(4-methoxyphenyl)amino]-1-oxopropan-2-yl}-8-oxo-5,8-dihydro[1,3]dioxolo[4,5-g]quinoline-7-carboxamide
Catalog ID
STK612365
SMILES COc1ccc(cc1)NC(=O)[C@@H](NC(=O)c1cn(CC)c2c(c1=O)cc1c(c2)OCO1)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 C23H23N3O6 MW 437.45 g/mol Purity >90% as per NMR
InChI
InChI=1S/C23H23N3O6/c1-4-26-11-17(21(27)16-9-19-20(10-18(16)26)32-12-31-19)23(29)24-13(2)22(28)25-14-5-7-15(30-3)8-6-14/h5-11,13H,4,12H2,1-3H3,(H,24,29)(H,25,28)/t13-/m0/s1InChIKey
DSZOBGKJSDTEHN-ZDUSSCGKSA-NSynonyms
1014086-72-6(S)5ethylN(1((4methoxyphenyl)amino)1oxopropan2yl)8oxo58dihydro(13)dioxolo(45g)quinoline7carboxamide
1014086726
5ethylN((2S)1((4methoxyphenyl)amino)1oxopropan2yl)8oxo58dihydro(13)dioxolo(45g)quinoline7carboxamide
5ethylN((2S)1(4methoxyanilino)1oxopropan2yl)8oxo(13)dioxolo(45g)quinoline7carboxamide
CCN1C=C(C(=O)C2=CC3=C(C=C21)OCO3)C(=O)NC(C)C(=O)NC4=CC=C(C=C4)OC
COc1ccc(cc1)NC(=O)(C@@H)(NC(=O)c1cn(CC)c2c(c1=O)cc1c(c2)OCO1)C
InChI=1SC23H23N3O6c14261117(21(27)1691920(1018(16)26)32123119)23(29)2413(2)22(28)25145715(303)8614h51113H412H213H3(H2429)(H2528)t13m0s1
MFCD08745477
ZINC000009184080
ZINC09184080
ZINC9184080
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