Vitas-M small molecule compound

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

Catalog ID
STK630840
SMILES CCn1cc(C(=O)N[C@H](C(=O)N2CCN(CC2)C)Cc2ccccc2)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 C27H30N4O5 MW 490.56 g/mol Purity >90% as per NMR
InChI
InChI=1S/C27H30N4O5/c1-3-30-16-20(25(32)19-14-23-24(15-22(19)30)36-17-35-23)26(33)28-21(13-18-7-5-4-6-8-18)27(34)31-11-9-29(2)10-12-31/h4-8,14-16,21H,3,9-13,17H2,1-2H3,(H,28,33)/t21-/m0/s1
InChIKey
OOMOQKHRKYGSJO-NRFANRHFSA-N
Synonyms
956503-61-0
(S)5ethylN(1(4methylpiperazin1yl)1oxo3phenylpropan2yl)8oxo58dihydro(13)dioxolo(45g)quinoline7carboxamide
5ethylN((2S)1(4methylpiperazin1yl)1oxo3phenylpropan2yl)8oxo(13)dioxolo(45g)quinoline7carboxamide
5ethylN((2S)1(4methylpiperazin1yl)1oxo3phenylpropan2yl)8oxo58dihydro(13)dioxolo(45g)quinoline7carboxamide
956503610
CCN1C=C(C(=O)C2=CC3=C(C=C21)OCO3)C(=O)NC(CC4=CC=CC=C4)C(=O)N5CCN(CC5)C
CCn1cc(C(=O)N(C@H)(C(=O)N2CCN(CC2)C)Cc2ccccc2)c(=O)c2c1cc1OCOc1c2
InChI=1SC27H30N4O5c13301620(25(32)19142324(1522(19)30)36173523)26(33)2821(13187546818)27(34)3111929(2)101231h48141621H391317H212H3(H2833)t21m0s1
MFCD08748838
ZINC000013628080
ZINC13628080

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Available files

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