Vitas-M small molecule compound

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

Catalog ID
STL009261
SMILES OCC(CNC(=O)[C@@H](NC(=O)c1cn(CC)c2c(c1=O)cc1c(c2)OCO1)Cc1ccccc1)O

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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 C25H27N3O7 MW 481.51 g/mol Purity >90% as per NMR
InChI
InChI=1S/C25H27N3O7/c1-2-28-12-18(23(31)17-9-21-22(10-20(17)28)35-14-34-21)24(32)27-19(8-15-6-4-3-5-7-15)25(33)26-11-16(30)13-29/h3-7,9-10,12,16,19,29-30H,2,8,11,13-14H2,1H3,(H,26,33)(H,27,32)/t16?,19-/m0/s1
InChIKey
SZIPDZVHMHRQJG-CVMIBEPCSA-N
Synonyms
1014063-20-7
1014063207
CCN1C=C(C(=O)C2=CC3=C(C=C21)OCO3)C(=O)NC(CC4=CC=CC=C4)C(=O)NCC(CO)O
InChI=1SC25H27N3O7c12281218(23(31)1792122(1020(17)28)35143421)24(32)2719(8156435715)25(33)261116(30)1329h379101216192930H28111314H21H3(H2633)(H2732)t16?19m0s1
N((2S)1((23dihydroxypropyl)amino)1oxo3phenylpropan2yl)5ethyl8oxo58dihydro(13)dioxolo(45g)quinoline7carboxamide
N((2S)1(23dihydroxypropylamino)1oxo3phenylpropan2yl)5ethyl8oxo(13)dioxolo(45g)quinoline7carboxamide
OCC(CNC(=O)(C@@H)(NC(=O)c1cn(CC)c2c(c1=O)cc1c(c2)OCO1)Cc1ccccc1)O
ZINC000009303416
ZINC000009303418

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Available files

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