Vitas-M small molecule compound
5-ethyl-N-{(2S)-3-methyl-1-oxo-1-[4-(pyridin-2-yl)piperazin-1-yl]butan-2-yl}-8-oxo-5,8-dihydro[1,3]dioxolo[4,5-g]quinoline-7-carboxamide
Catalog ID
STK614306
SMILES CCn1cc(C(=O)N[C@H](C(=O)N2CCN(CC2)c2ccccn2)C(C)C)c(=O)c2c1cc1OCOc1c2
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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 C27H31N5O5 MW 505.57 g/mol Purity >90% as per NMR
InChI
InChI=1S/C27H31N5O5/c1-4-30-15-19(25(33)18-13-21-22(14-20(18)30)37-16-36-21)26(34)29-24(17(2)3)27(35)32-11-9-31(10-12-32)23-7-5-6-8-28-23/h5-8,13-15,17,24H,4,9-12,16H2,1-3H3,(H,29,34)/t24-/m0/s1InChIKey
PVKWEHOODJWSGQ-DEOSSOPVSA-NSynonyms
1013754-28-3(S)5ethylN(3methyl1oxo1(4(pyridin2yl)piperazin1yl)butan2yl)8oxo58dihydro(13)dioxolo(45g)quinoline7carboxamide
1013754283
5ethylN((2S)3methyl1oxo1(4(pyridin2yl)piperazin1yl)butan2yl)8oxo58dihydro(13)dioxolo(45g)quinoline7carboxamide
5ethylN((2S)3methyl1oxo1(4pyridin2ylpiperazin1yl)butan2yl)8oxo(13)dioxolo(45g)quinoline7carboxamide
CCN1C=C(C(=O)C2=CC3=C(C=C21)OCO3)C(=O)NC(C(C)C)C(=O)N4CCN(CC4)C5=CC=CC=N5
CCn1cc(C(=O)N(C@H)(C(=O)N2CCN(CC2)c2ccccn2)C(C)C)c(=O)c2c1cc1OCOc1c2
InChI=1SC27H31N5O5c14301519(25(33)18132122(1420(18)30)37163621)26(34)2924(17(2)3)27(35)3211931(101232)2375682823h5813151724H491216H213H3(H2934)t24m0s1
MFCD08747451
ZINC000009306038
ZINC9306038
Check stock
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Check stock on Vitas-MAvailable files
Download the SDF, MOL, 3D structure and SDS documents from Vitas-M.