Vitas-M small molecule compound

N-[(4-methyl-2-oxo-6,7,8,9-tetrahydro-2H-[1]benzofuro[3,2-g]chromen-3-yl)acetyl]-L-phenylalanine

Catalog ID
STL533418
SMILES O=C(Cc1c(=O)oc2c(c1C)cc1c(c2)oc2c1CCCC2)N[C@H](C(=O)O)Cc1ccccc1

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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 C27H25NO6 MW 459.50 g/mol Purity >90% as per NMR
InChI
InChI=1S/C27H25NO6/c1-15-18-12-20-17-9-5-6-10-22(17)33-24(20)14-23(18)34-27(32)19(15)13-25(29)28-21(26(30)31)11-16-7-3-2-4-8-16/h2-4,7-8,12,14,21H,5-6,9-11,13H2,1H3,(H,28,29)(H,30,31)/t21-/m0/s1
InChIKey
JCZZIIDNGHHXFS-NRFANRHFSA-N
Synonyms
956739-49-4
(2~(S))2((2(4methyl2oxo6789tetrahydro(1)benzofuro(32g)chromen3yl)acetyl)amino)3phenylpropanoicacid
(S)2(2(4methyl2oxo6789tetrahydro2Hbenzofuro(32g)chromen3yl)acetamido)3phenylpropanoicacid
1804127
956739494
InChI=1SC27H25NO6c115181220179561022(17)3324(20)1423(18)3427(32)19(15)1325(29)2821(26(30)31)11167324816h2478121421H5691113H21H3(H2829)(H3031)t21m0s1
N((4methyl2oxo6789tetrahydro2H(1)benzofuro(32g)chromen3yl)acetyl)Lphenylalanine
O=C(Cc1c(=O)oc2c(c1C)cc1c(c2)oc2c1CCCC2)N(C@H)(C(=O)O)Cc1ccccc1
ZINC000002155139
ZINC2155139

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Available files

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