Vitas-M small molecule compound

(2S,3S)-2-(2-(((Z)-2-(benzo[d][1,3]dioxol-5-ylmethylene)-3-oxo-2,3-dihydrobenzofuran-6-yl)oxy)acetamido)-3-methylpentanoic acid

Catalog ID
STL530749
SMILES CCC([C@@H](C(=O)O)NC(=O)COc1ccc2c(c1)O/C(=C\c1ccc3c(c1)OCO3)/C2=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 C24H23NO8 MW 453.45 g/mol Purity >90% as per NMR
InChI
InChI=1S/C24H23NO8/c1-3-13(2)22(24(28)29)25-21(26)11-30-15-5-6-16-18(10-15)33-20(23(16)27)9-14-4-7-17-19(8-14)32-12-31-17/h4-10,13,22H,3,11-12H2,1-2H3,(H,25,26)(H,28,29)/b20-9-/t13?,22-/m0/s1
InChIKey
KBYRHFAACISZRS-GIZGYEQVSA-N
Synonyms
956914-91-3
(2~(S))2((2(((2~(Z))2(13benzodioxol5ylmethylidene)3oxo1benzofuran6yl)oxy)acetyl)amino)3methylpentanoicacid
(2S3S)2(2(((Z)2(benzo(d)(13)dioxol5ylmethylene)3oxo23dihydrobenzofuran6yl)oxy)acetamido)3methylpentanoicacid
16404214
956914913
CCC((C@@H)(C(=O)O)NC(=O)COc1ccc2c(c1)OC(=Cc1ccc3c(c1)OCO3)C2=O)C
InChI=1SC24H23NO8c1313(2)22(24(28)29)2521(26)113015561618(1015)3320(23(16)27)914471719(814)32123117h4101322H31112H212H3(H2526)(H2829)b209t13?22m0s1
MFCD06766460
ZINC000008790401
ZINC000012883253

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Available files

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