Vitas-M small molecule compound
5-ethyl-N-{(2S)-1-[4-(2-methoxyphenyl)piperazin-1-yl]-1-oxopropan-2-yl}-8-oxo-5,8-dihydro[1,3]dioxolo[4,5-g]quinoline-7-carboxamide
Catalog ID
STK607797
SMILES COc1ccccc1N1CCN(CC1)C(=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 C27H30N4O6 MW 506.56 g/mol Purity >90% as per NMR
InChI
InChI=1S/C27H30N4O6/c1-4-29-15-19(25(32)18-13-23-24(14-21(18)29)37-16-36-23)26(33)28-17(2)27(34)31-11-9-30(10-12-31)20-7-5-6-8-22(20)35-3/h5-8,13-15,17H,4,9-12,16H2,1-3H3,(H,28,33)/t17-/m0/s1InChIKey
XHHVIZMJOPYGAR-KRWDZBQOSA-NSynonyms
1014083-95-4(S)5ethylN(1(4(2methoxyphenyl)piperazin1yl)1oxopropan2yl)8oxo58dihydro(13)dioxolo(45g)quinoline7carboxamide
1014083954
5ethylN((2S)1(4(2methoxyphenyl)piperazin1yl)1oxopropan2yl)8oxo(13)dioxolo(45g)quinoline7carboxamide
5ethylN((2S)1(4(2methoxyphenyl)piperazin1yl)1oxopropan2yl)8oxo58dihydro(13)dioxolo(45g)quinoline7carboxamide
CCN1C=C(C(=O)C2=CC3=C(C=C21)OCO3)C(=O)NC(C)C(=O)N4CCN(CC4)C5=CC=CC=C5OC
COc1ccccc1N1CCN(CC1)C(=O)(C@@H)(NC(=O)c1cn(CC)c2c(c1=O)cc1c(c2)OCO1)C
InChI=1SC27H30N4O6c14291519(25(32)18132324(1421(18)29)37163623)26(33)2817(2)27(34)3111930(101231)20756822(20)353h58131517H491216H213H3(H2833)t17m0s1
MFCD08747945
ZINC000009344016
ZINC09344016
ZINC9344016
Check stock
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Check stock on Vitas-MAvailable files
Download the SDF, MOL, 3D structure and SDS documents from Vitas-M.