Vitas-M small molecule compound

N-({[3-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)-2-methyl-4-oxo-4H-chromen-7-yl]oxy}acetyl)-D-norvaline

Catalog ID
STK080005
SMILES CCC[C@H](C(=O)O)NC(=O)COc1ccc2c(c1)oc(c(c2=O)c1ccc2c(c1)OCCCO2)C

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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 C26H27NO8 MW 481.50 g/mol Purity >90% as per NMR
InChI
InChI=1S/C26H27NO8/c1-3-5-19(26(30)31)27-23(28)14-34-17-7-8-18-21(13-17)35-15(2)24(25(18)29)16-6-9-20-22(12-16)33-11-4-10-32-20/h6-9,12-13,19H,3-5,10-11,14H2,1-2H3,(H,27,28)(H,30,31)/t19-/m1/s1
InChIKey
HPFIUDPESZTLBT-LJQANCHMSA-N
Synonyms
312963-19-2
(2R)2((2(3(34DIHYDRO2H15BENZODIOXEPIN7YL)2METHYL4OXOCHROMEN7YL)OXYACETYL)AMINO)PENTANOICACID
(R)2(2((3(34dihydro2Hbenzo(b)(14)dioxepin7yl)2methyl4oxo4Hchromen7yl)oxy)acetamido)pentanoicacid
312963192
CCC(C@H)(C(=O)O)NC(=O)COc1ccc2c(c1)oc(c(c2=O)c1ccc2c(c1)OCCCO2)C
CCCC(C(=O)O)NC(=O)COC1=CC2=C(C=C1)C(=O)C(=C(O2)C)C3=CC4=C(C=C3)OCCCO4
InChI=1SC26H27NO8c13519(26(30)31)2723(28)143417781821(1317)3515(2)24(25(18)29)16692022(1216)33114103220h69121319H35101114H212H3(H2728)(H3031)t19m1s1
MFCD32649514
N(((3(34DIHYDRO2H15BENZODIOXEPIN7YL)2METHYL4OXO4HCHROMEN7YL)OXY)ACETYL)DNORVALINE
STK080005
ZINC000002090744
ZINC2090744

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Available files

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