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}-beta-alanyl-L-alanine
Catalog ID
STL533697
SMILES O=C(COc1cc2OC(C)(C)CCc2c2c1c(C)cc(=O)o2)NCCC(=O)N[C@H](C(=O)O)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 C23H28N2O8 MW 460.48 g/mol Purity >90% as per NMR
InChI
InChI=1S/C23H28N2O8/c1-12-9-19(28)32-21-14-5-7-23(3,4)33-15(14)10-16(20(12)21)31-11-18(27)24-8-6-17(26)25-13(2)22(29)30/h9-10,13H,5-8,11H2,1-4H3,(H,24,27)(H,25,26)(H,29,30)/t13-/m0/s1InChIKey
ISZUWKYAFKGDBK-ZDUSSCGKSA-NSynonyms
956961-38-9(2~(S))2(3((2((488trimethyl2oxo910dihydropyrano(23h)chromen5yl)oxy)acetyl)amino)propanoylamino)propanoicacid
(S)2(3(2((488trimethyl2oxo28910tetrahydropyrano(23f)chromen5yl)oxy)acetamido)propanamido)propanoicacid
16406331
956961389
InChI=1SC23H28N2O8c112919(28)3221145723(34)3315(14)1016(20(12)21)311118(27)248617(26)2513(2)22(29)30h91013H5811H214H3(H2427)(H2526)(H2930)t13m0s1
MFCD08002490
N(((488trimethyl2oxo910dihydro2H8Hpyrano(23f)chromen5yl)oxy)acetyl)betaalanylLalanine
O=C(COc1cc2OC(C)(C)CCc2c2c1c(C)cc(=O)o2)NCCC(=O)N(C@H)(C(=O)O)C
ZINC000008876440
ZINC8876440
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