Vitas-M small molecule compound
N-({[(2Z)-2-(1,3-benzodioxol-5-ylmethylidene)-3-oxo-2,3-dihydro-1-benzofuran-6-yl]oxy}acetyl)-D-valine
Catalog ID
STL530230
SMILES O=C(N[C@@H](C(=O)O)C(C)C)COc1ccc2c(c1)O/C(=C\c1ccc3c(c1)OCO3)/C2=O
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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 C23H21NO8 MW 439.42 g/mol Purity >90% as per NMR
InChI
InChI=1S/C23H21NO8/c1-12(2)21(23(27)28)24-20(25)10-29-14-4-5-15-17(9-14)32-19(22(15)26)8-13-3-6-16-18(7-13)31-11-30-16/h3-9,12,21H,10-11H2,1-2H3,(H,24,25)(H,27,28)/b19-8-/t21-/m1/s1InChIKey
TVRFXZSVWQNWGQ-HUHAETNCSA-NSynonyms
956919-60-1(2~(R))2((2(((2~(Z))2(13benzodioxol5ylmethylidene)3oxo1benzofuran6yl)oxy)acetyl)amino)3methylbutanoicacid
(RZ)2(2((2(benzo(d)(13)dioxol5ylmethylene)3oxo23dihydrobenzofuran6yl)oxy)acetamido)3methylbutanoicacid
16404360
956919601
InChI=1SC23H21NO8c112(2)21(23(27)28)2420(25)102914451517(914)3219(22(15)26)813361618(713)31113016h391221H1011H212H3(H2425)(H2728)b198t21m1s1
N((((2Z)2(13benzodioxol5ylmethylidene)3oxo23dihydro1benzofuran6yl)oxy)acetyl)Dvaline
O=C(N(C@@H)(C(=O)O)C(C)C)COc1ccc2c(c1)OC(=Cc1ccc3c(c1)OCO3)C2=O
ZINC000008790512
ZINC8790512
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