Vitas-M small molecule compound

4-oxo-3-phenoxy-4H-chromen-7-yl N-(tert-butoxycarbonyl)-L-alaninate

Catalog ID
STK717862
SMILES O=C(OC(C)(C)C)N[C@H](C(=O)Oc1ccc2c(c1)occ(c2=O)Oc1ccccc1)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 C23H23NO7 MW 425.44 g/mol Purity >90% as per NMR
InChI
InChI=1S/C23H23NO7/c1-14(24-22(27)31-23(2,3)4)21(26)30-16-10-11-17-18(12-16)28-13-19(20(17)25)29-15-8-6-5-7-9-15/h5-14H,1-4H3,(H,24,27)/t14-/m0/s1
InChIKey
CAAVPDSGOIJABL-AWEZNQCLSA-N
Synonyms

(4OXO3PHENOXYCHROMEN7YL)(2S)2((2METHYLPROPAN2YL)OXYCARBONYLAMINO)PROPANOATE
(R)4oxo3phenoxy4Hchromen7yl2((tertbutoxycarbonyl)amino)propanoate
4oxo3phenoxy4Hchromen7ylN(tertbutoxycarbonyl)Lalaninate
CC(C(=O)OC1=CC2=C(C=C1)C(=O)C(=CO2)OC3=CC=CC=C3)NC(=O)OC(C)(C)C
InChI=1SC23H23NO7c114(2422(27)3123(23)4)21(26)301610111718(1216)281319(20(17)25)29158657915h514H14H3(H2427)t14m0s1
MFCD13371596
O=C(OC(C)(C)C)N(C@@H)(C(=O)Oc1ccc2c(c1)occ(c2=O)Oc1ccccc1)C
O=C(OC(C)(C)C)N(C@H)(C(=O)Oc1ccc2c(c1)occ(c2=O)Oc1ccccc1)C
ZINC000001907696
ZINC01907696
ZINC1907696

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Available files

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