Vitas-M small molecule compound

ethyl 4-hydroxy-5-[3-{[2-(1H-indol-3-yl)ethyl]amino}-1-(7-methoxy-1,3-benzodioxol-5-yl)-3-oxopropyl]-6-oxo-1,6-dihydropyridine-3-carboxylate

Catalog ID
STL435207
SMILES CCOC(=O)c1c[nH]c(=O)c(c1O)C(c1cc(OC)c2c(c1)OCO2)CC(=O)NCCc1c[nH]c2c1cccc2

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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 C29H29N3O8 MW 547.56 g/mol Purity >90% as per NMR
InChI
InChI=1S/C29H29N3O8/c1-3-38-29(36)20-14-32-28(35)25(26(20)34)19(17-10-22(37-2)27-23(11-17)39-15-40-27)12-24(33)30-9-8-16-13-31-21-7-5-4-6-18(16)21/h4-7,10-11,13-14,19,31H,3,8-9,12,15H2,1-2H3,(H,30,33)(H2,32,34,35)
InChIKey
MEUIXRPNVDFYJD-UHFFFAOYSA-N
Synonyms

CCOC(=O)C1=CNC(=O)C(=C1O)C(CC(=O)NCCC2=CNC3=CC=CC=C32)C4=CC5=C(C(=C4)OC)OCO5
CCOC(=O)c1c(nH)c(=O)c(c1O)C(c1cc(OC)c2c(c1)OCO2)CC(=O)NCCc1c(nH)c2c1cccc2
ethyl4hydroxy5(3((2(1Hindol3yl)ethyl)amino)1(7methoxy13benzodioxol5yl)3oxopropyl)6oxo16dihydropyridine3carboxylate
ethyl4hydroxy5(3(2(1Hindol3yl)ethylamino)1(7methoxy13benzodioxol5yl)3oxopropyl)6oxo1Hpyridine3carboxylate
InChI=1SC29H29N3O8c133829(36)20143228(35)25(26(20)34)19(171022(372)2723(1117)39154027)1224(33)309816133121754618(16)21h47101113141931H3891215H212H3(H3033)(H2323435)
MFCD30711743
ZINC000253496540
ZINC000253496541

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Available files

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