Vitas-M small molecule compound
3-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)-2-methyl-4-oxo-4H-chromen-7-yl D-alaninate
Catalog ID
STL565156
SMILES O=C([C@H](N)C)Oc1ccc2c(c1)oc(c(c2=O)c1ccc2c(c1)OCCCO2)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 C22H21NO6 MW 395.41 g/mol Purity >90% as per NMR
InChI
InChI=1S/C22H21NO6/c1-12(23)22(25)29-15-5-6-16-18(11-15)28-13(2)20(21(16)24)14-4-7-17-19(10-14)27-9-3-8-26-17/h4-7,10-12H,3,8-9,23H2,1-2H3/t12-/m1/s1InChIKey
STJWJBNSISCLNW-GFCCVEGCSA-NSynonyms
(3(34dihydro2H15benzodioxepin7yl)2methyl4oxochromen7yl)(2R)2aminopropanoate
(R)1((3(34dihydro2Hbenzo(b)(14)dioxepin7yl)2methyl4oxo4Hchromen7yl)oxy)1oxopropan2aminiumbromide
1747446
3(34dihydro2H15benzodioxepin7yl)2methyl4oxo4Hchromen7ylDalaninate
InChI=1SC22H21NO6c112(23)22(25)2915561618(1115)2813(2)20(21(16)24)14471719(1014)279382617h471012H38923H212H3t12m1s1
MFCD32651885
O=C((C@H)((NH3+))C)Oc1ccc2c(c1)oc(c(c2=O)c1ccc2c(c1)OCCCO2)C(Br)
ZINC000019702830
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