Vitas-M small molecule compound

N-{[(4,8,8-trimethyl-2-oxo-9,10-dihydro-2H,8H-pyrano[2,3-f]chromen-5-yl)oxy]acetyl}-D-valine

Catalog ID
STL463633
SMILES O=C(N[C@@H](C(=O)O)C(C)C)COc1cc2OC(C)(C)CCc2c2c1c(C)cc(=O)o2

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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 C22H27NO7 MW 417.46 g/mol Purity >90% as per NMR
InChI
InChI=1S/C22H27NO7/c1-11(2)19(21(26)27)23-16(24)10-28-15-9-14-13(6-7-22(4,5)30-14)20-18(15)12(3)8-17(25)29-20/h8-9,11,19H,6-7,10H2,1-5H3,(H,23,24)(H,26,27)/t19-/m1/s1
InChIKey
BYYQJHJYRCCNOF-LJQANCHMSA-N
Synonyms

(2R)3methyl2((2((488trimethyl2oxo910dihydropyrano(23h)chromen5yl)oxy)acetyl)amino)butanoicacid
(S)3methyl2(2((488trimethyl2oxo28910tetrahydropyrano(23f)chromen5yl)oxy)acetamido)butanoicacid
CC1=CC(=O)OC2=C3CCC(OC3=CC(=C12)OCC(=O)NC(C(C)C)C(=O)O)(C)C
InChI=1SC22H27NO7c111(2)19(21(26)27)2316(24)10281591413(6722(45)3014)2018(15)12(3)817(25)2920h891119H6710H215H3(H2324)(H2627)t19m1s1
MFCD08002429
N(((488trimethyl2oxo910dihydro2H8Hpyrano(23f)chromen5yl)oxy)acetyl)Dvaline
O=C(N(C@@H)(C(=O)O)C(C)C)COc1cc2OC(C)(C)CCc2c2c1c(C)cc(=O)o2
O=C(N(C@H)(C(=O)O)C(C)C)COc1cc2OC(C)(C)CCc2c2c1c(C)cc(=O)o2
ZINC000011865491
ZINC11865491

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Available files

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