Vitas-M small molecule compound

5-ethyl-N-{(2S)-4-methyl-1-oxo-1-[(pyridin-3-ylmethyl)amino]pentan-2-yl}-8-oxo-5,8-dihydro[1,3]dioxolo[4,5-g]quinoline-7-carboxamide

Catalog ID
STK606288
SMILES CCn1cc(C(=O)N[C@H](C(=O)NCc2cccnc2)CC(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 C25H28N4O5 MW 464.52 g/mol Purity >90% as per NMR
InChI
InChI=1S/C25H28N4O5/c1-4-29-13-18(23(30)17-9-21-22(10-20(17)29)34-14-33-21)24(31)28-19(8-15(2)3)25(32)27-12-16-6-5-7-26-11-16/h5-7,9-11,13,15,19H,4,8,12,14H2,1-3H3,(H,27,32)(H,28,31)/t19-/m0/s1
InChIKey
VMEJWHDKGIUABE-IBGZPJMESA-N
Synonyms
1014104-73-4
(S)5ethylN(4methyl1oxo1((pyridin3ylmethyl)amino)pentan2yl)8oxo58dihydro(13)dioxolo(45g)quinoline7carboxamide
1014104734
5ethylN((2S)4methyl1oxo1((pyridin3ylmethyl)amino)pentan2yl)8oxo58dihydro(13)dioxolo(45g)quinoline7carboxamide
5ethylN((2S)4methyl1oxo1(pyridin3ylmethylamino)pentan2yl)8oxo(13)dioxolo(45g)quinoline7carboxamide
CCN1C=C(C(=O)C2=CC3=C(C=C21)OCO3)C(=O)NC(CC(C)C)C(=O)NCC4=CN=CC=C4
CCn1cc(C(=O)N(C@H)(C(=O)NCc2cccnc2)CC(C)C)c(=O)c2c1cc1OCOc1c2
InChI=1SC25H28N4O5c14291318(23(30)1792122(1020(17)29)34143321)24(31)2819(815(2)3)25(32)271216657261116h57911131519H481214H213H3(H2732)(H2831)t19m0s1
MFCD08291208
ZINC000009411012
ZINC09411012
ZINC9411012

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Available files

Download the SDF, MOL, 3D structure and SDS documents from Vitas-M.