Vitas-M small molecule compound
(2S)-({[(4-oxo-1,2,3,4-tetrahydrocyclopenta[c]chromen-7-yl)oxy]acetyl}amino)(phenyl)ethanoic acid
Catalog ID
STL460868
SMILES O=C(N[C@@H](c1ccccc1)C(=O)O)COc1ccc2c(c1)oc(=O)c1c2CCC1
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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 C22H19NO6 MW 393.40 g/mol Purity >90% as per NMR
InChI
InChI=1S/C22H19NO6/c24-19(23-20(21(25)26)13-5-2-1-3-6-13)12-28-14-9-10-16-15-7-4-8-17(15)22(27)29-18(16)11-14/h1-3,5-6,9-11,20H,4,7-8,12H2,(H,23,24)(H,25,26)/t20-/m0/s1InChIKey
CWXYOXOAQULLBF-FQEVSTJZSA-NSynonyms
956049-72-2(2S)((((4oxo1234tetrahydrocyclopenta(c)chromen7yl)oxy)acetyl)amino)(phenyl)ethanoicacid
(2S)2((2((4OXO23DIHYDRO1HCYCLOPENTA(C)CHROMEN7YL)OXY)ACETYL)AMINO)2PHENYLACETICACID
(S)2(2((4oxo1234tetrahydrocyclopenta(c)chromen7yl)oxy)acetamido)2phenylaceticacid
956049722
C1CC2=C(C1)C(=O)OC3=C2C=CC(=C3)OCC(=O)NC(C4=CC=CC=C4)C(=O)O
InChI=1SC22H19NO6c2419(2320(21(25)26)135213613)122814910161574817(15)22(27)2918(16)1114h135691120H47812H2(H2324)(H2526)t20m0s1
MFCD03469087
O=C(N(C@@H)(c1ccccc1)C(=O)O)COc1ccc2c(c1)oc(=O)c1c2CCC1
ZINC000002091804
ZINC2091804
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