Vitas-M small molecule compound
N~2~-[3-(6-hydroxy-1,3-benzodioxol-5-yl)-3-(4-oxo-4H-chromen-3-yl)propanoyl]-D-alaninamide
Catalog ID
STL549779
SMILES O=C(CC(c1coc2c(c1=O)cccc2)c1cc2OCOc2cc1O)N[C@@H](C(=O)N)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 C22H20N2O7 MW 424.41 g/mol Purity >90% as per NMR
InChI
InChI=1S/C22H20N2O7/c1-11(22(23)28)24-20(26)7-13(14-6-18-19(8-16(14)25)31-10-30-18)15-9-29-17-5-3-2-4-12(17)21(15)27/h2-6,8-9,11,13,25H,7,10H2,1H3,(H2,23,28)(H,24,26)/t11-,13?/m1/s1InChIKey
FHRBUKDRZNHSPG-JTDNENJMSA-NSynonyms
~(N)((2~(R))1amino1oxopropan2yl)3(6hydroxy13benzodioxol5yl)3(4oxochromen3yl)propanamide
129895793
InChI=1SC22H20N2O7c111(22(23)28)2420(26)713(1461819(816(14)25)31103018)1592917532412(17)21(15)27h2689111325H710H21H3(H22328)(H2426)t1113?m1s1
N((R)1amino1oxopropan2yl)3(6hydroxybenzo(d)(13)dioxol5yl)3(4oxo4Hchromen3yl)propanamide
N~2~(3(6hydroxy13benzodioxol5yl)3(4oxo4Hchromen3yl)propanoyl)Dalaninamide
N2(3(6HYDROXY13BENZODIOXOL5YL)3(4OXO4HCHROMEN3YL)PROPANOYL)DALANINAMIDE
O=C(CC(c1coc2c(c1=O)cccc2)c1cc2OCOc2cc1O)N(C@@H)(C(=O)N)C
ZINC000524731626
ZINC000524731627
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