Vitas-M small molecule compound

N-{[(3-methyl-6-oxo-7,8,9,10-tetrahydro-6H-benzo[c]chromen-1-yl)oxy]acetyl}-L-tryptophan

Catalog ID
STL460979
SMILES O=C(N[C@H](C(=O)O)Cc1c[nH]c2c1cccc2)COc1cc(C)cc2c1c1CCCCc1c(=O)o2

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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 C27H26N2O6 MW 474.51 g/mol Purity >90% as per NMR
InChI
InChI=1S/C27H26N2O6/c1-15-10-22(25-18-7-2-3-8-19(18)27(33)35-23(25)11-15)34-14-24(30)29-21(26(31)32)12-16-13-28-20-9-5-4-6-17(16)20/h4-6,9-11,13,21,28H,2-3,7-8,12,14H2,1H3,(H,29,30)(H,31,32)/t21-/m0/s1
InChIKey
JTIQGLKRCIOWFG-NRFANRHFSA-N
Synonyms
956040-85-0
(2S)3(1Hindol3yl)2((2((3methyl6oxo78910tetrahydrobenzo(c)chromen1yl)oxy)acetyl)amino)propanoicacid
(S)3(1Hindol3yl)2(2((3methyl6oxo78910tetrahydro6Hbenzo(c)chromen1yl)oxy)acetamido)propanoicacid
956040850
CC1=CC2=C(C3=C(CCCC3)C(=O)O2)C(=C1)OCC(=O)NC(CC4=CNC5=CC=CC=C54)C(=O)O
InChI=1SC27H26N2O6c1151022(2518723819(18)27(33)3523(25)1115)341424(30)2921(26(31)32)1216132820954617(16)20h46911132128H23781214H21H3(H2930)(H3132)t21m0s1
N(((3methyl6oxo78910tetrahydro6Hbenzo(c)chromen1yl)oxy)acetyl)Ltryptophan
O=C(N(C@H)(C(=O)O)Cc1c(nH)c2c1cccc2)COc1cc(C)cc2c1c1CCCCc1c(=O)o2
ZINC000002136974
ZINC2136974

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Available files

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