Vitas-M small molecule compound

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

Catalog ID
STL535331
SMILES CCn1cc(C(=O)N[C@H](C(=O)NCCNC(=O)c2ccncc2)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 C26H29N5O6 MW 507.55 g/mol Purity >90% as per NMR
InChI
InChI=1S/C26H29N5O6/c1-4-31-13-18(23(32)17-11-20-21(12-19(17)31)37-14-36-20)25(34)30-22(15(2)3)26(35)29-10-9-28-24(33)16-5-7-27-8-6-16/h5-8,11-13,15,22H,4,9-10,14H2,1-3H3,(H,28,33)(H,29,35)(H,30,34)/t22-/m0/s1
InChIKey
IEFWTUFRYRCGOD-QFIPXVFZSA-N
Synonyms
956952-78-6
(S)5ethylN(1((2(isonicotinamido)ethyl)amino)3methyl1oxobutan2yl)8oxo58dihydro(13)dioxolo(45g)quinoline7carboxamide
16408766
5ethyl~(N)((2~(S))3methyl1oxo1(2(pyridine4carbonylamino)ethylamino)butan2yl)8oxo(13)dioxolo(45g)quinoline7carboxamide
5ethylN((2S)3methyl1oxo1((2((pyridin4ylcarbonyl)amino)ethyl)amino)butan2yl)8oxo58dihydro(13)dioxolo(45g)quinoline7carboxamide
956952786
CCn1cc(C(=O)N(C@H)(C(=O)NCCNC(=O)c2ccncc2)C(C)C)c(=O)c2c1cc1OCOc1c2
InChI=1SC26H29N5O6c14311318(23(32)17112021(1219(17)31)37143620)25(34)3022(15(2)3)26(35)291092824(33)1657278616h5811131522H491014H213H3(H2833)(H2935)(H3034)t22m0s1
ZINC000008764615
ZINC8764615

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Available files

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