Vitas-M small molecule compound

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

Catalog ID
STK606994
SMILES COc1cc(CCNC(=O)[C@@H](NC(=O)c2cn(CC)c3c(c2=O)cc2c(c3)OCO2)C)ccc1OC

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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 C26H29N3O7 MW 495.53 g/mol Purity >90% as per NMR
InChI
InChI=1S/C26H29N3O7/c1-5-29-13-18(24(30)17-11-22-23(12-19(17)29)36-14-35-22)26(32)28-15(2)25(31)27-9-8-16-6-7-20(33-3)21(10-16)34-4/h6-7,10-13,15H,5,8-9,14H2,1-4H3,(H,27,31)(H,28,32)/t15-/m0/s1
InChIKey
IZGRYLGXEUXMJI-HNNXBMFYSA-N
Synonyms
956971-76-9
(S)N(1((34dimethoxyphenethyl)amino)1oxopropan2yl)5ethyl8oxo58dihydro(13)dioxolo(45g)quinoline7carboxamide
956971769
CCN1C=C(C(=O)C2=CC3=C(C=C21)OCO3)C(=O)NC(C)C(=O)NCCC4=CC(=C(C=C4)OC)OC
COc1cc(CCNC(=O)(C@@H)(NC(=O)c2cn(CC)c3c(c2=O)cc2c(c3)OCO2)C)ccc1OC
InChI=1SC26H29N3O7c15291318(24(30)17112223(1219(17)29)36143522)26(32)2815(2)25(31)2798166720(333)21(1016)344h67101315H58914H214H3(H2731)(H2832)t15m0s1
MFCD08292164
N((2S)1((2(34dimethoxyphenyl)ethyl)amino)1oxopropan2yl)5ethyl8oxo58dihydro(13)dioxolo(45g)quinoline7carboxamide
N((2S)1(2(34dimethoxyphenyl)ethylamino)1oxopropan2yl)5ethyl8oxo(13)dioxolo(45g)quinoline7carboxamide
ZINC000013609153
ZINC13609153

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Available files

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