Vitas-M small molecule compound

N-[(3-tert-butyl-5,9-dimethyl-7-oxo-7H-furo[3,2-g]chromen-6-yl)acetyl]-D-phenylalanine

Catalog ID
STL463410
SMILES O=C(Cc1c(=O)oc2c(c1C)cc1c(c2C)occ1C(C)(C)C)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 C28H29NO6 MW 475.54 g/mol Purity >90% as per NMR
InChI
InChI=1S/C28H29NO6/c1-15-18-12-20-21(28(3,4)5)14-34-24(20)16(2)25(18)35-27(33)19(15)13-23(30)29-22(26(31)32)11-17-9-7-6-8-10-17/h6-10,12,14,22H,11,13H2,1-5H3,(H,29,30)(H,31,32)/t22-/m1/s1
InChIKey
IWXAIXFBGNHMQY-JOCHJYFZSA-N
Synonyms

(2R)2((2(3tertbutyl59dimethyl7oxofuro(32g)chromen6yl)acetyl)amino)3phenylpropanoicacid
(S)2(2(3(tertbutyl)59dimethyl7oxo7Hfuro(32g)chromen6yl)acetamido)3phenylpropanoicacid
CC1=C(C(=O)OC2=C1C=C3C(=COC3=C2C)C(C)(C)C)CC(=O)NC(CC4=CC=CC=C4)C(=O)O
InChI=1SC28H29NO6c11518122021(28(34)5)143424(20)16(2)25(18)3527(33)19(15)1323(30)2922(26(31)32)111797681017h610121422H1113H215H3(H2930)(H3132)t22m1s1
N((3tertbutyl59dimethyl7oxo7Hfuro(32g)chromen6yl)acetyl)Dphenylalanine
O=C(Cc1c(=O)oc2c(c1C)cc1c(c2C)occ1C(C)(C)C)N(C@@H)(C(=O)O)Cc1ccccc1
O=C(Cc1c(=O)oc2c(c1C)cc1c(c2C)occ1C(C)(C)C)N(C@H)(C(=O)O)Cc1ccccc1
ZINC000011865394
ZINC11865394

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Available files

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