Vitas-M small molecule compound

N-(3,4-dihydro-2H-1,5-benzodioxepin-7-ylacetyl)phenylalanine

Catalog ID
STL475545
SMILES O=C(NC(C(=O)O)Cc1ccccc1)Cc1ccc2c(c1)OCCCO2

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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 C20H21NO5 MW 355.39 g/mol Purity >90% as per NMR
InChI
InChI=1S/C20H21NO5/c22-19(21-16(20(23)24)11-14-5-2-1-3-6-14)13-15-7-8-17-18(12-15)26-10-4-9-25-17/h1-3,5-8,12,16H,4,9-11,13H2,(H,21,22)(H,23,24)
InChIKey
CLVNQSLNSZESJY-UHFFFAOYSA-N
Synonyms

(S)2(2(34dihydro2Hbenzo(b)(14)dioxepin7yl)acetamido)3phenylpropanoicacid
2((2(34dihydro2H15benzodioxepin7yl)acetyl)amino)3phenylpropanoicacid
C1COC2=C(C=C(C=C2)CC(=O)NC(CC3=CC=CC=C3)C(=O)O)OC1
InChI=1SC20H21NO5c2219(2116(20(23)24)11145213614)1315781718(1215)2610492517h13581216H491113H2(H2122)(H2324)
MFCD31751284
N(34dihydro2H15benzodioxepin7ylacetyl)phenylalanine
O=C(N(C@H)(C(=O)O)Cc1ccccc1)Cc1ccc2c(c1)OCCCO2
ZINC000096221226
ZINC000334161467

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Available files

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