Vitas-M small molecule compound

N-(1,3-benzodioxol-5-ylmethyl)-2-(3-tert-butyl-5-methyl-7-oxo-7H-furo[3,2-g]chromen-6-yl)acetamide

Catalog ID
STK829488
SMILES O=C(Cc1c(=O)oc2c(c1C)cc1c(c2)occ1C(C)(C)C)NCc1ccc2c(c1)OCO2

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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 C26H25NO6 MW 447.49 g/mol Purity >90% as per NMR
InChI
InChI=1S/C26H25NO6/c1-14-16-8-18-19(26(2,3)4)12-30-21(18)10-22(16)33-25(29)17(14)9-24(28)27-11-15-5-6-20-23(7-15)32-13-31-20/h5-8,10,12H,9,11,13H2,1-4H3,(H,27,28)
InChIKey
ZZJIGOLMKDKQTF-UHFFFAOYSA-N
Synonyms
853900-34-2
853900342
CC1=C(C(=O)OC2=C1C=C3C(=C2)OC=C3C(C)(C)C)CC(=O)NCC4=CC5=C(C=C4)OCO5
InChI=1SC26H25NO6c1141681819(26(23)4)123021(18)1022(16)3325(29)17(14)924(28)271115562023(715)32133120h581012H91113H214H3(H2728)
MFCD06439899
N(13benzodioxol5ylmethyl)2(3tertbutyl5methyl7oxo7Hfuro(32g)chromen6yl)acetamide
N(13BENZODIOXOL5YLMETHYL)2(3TERTBUTYL5METHYL7OXOFURO(32G)CHROMEN6YL)ACETAMIDE
N(2HBENZO(34D)13DIOXOLEN5YLMETHYL)2(6(TERTBUTYL)4METHYL2OXOFURANO(32G)CHROMEN3YL)ACETAMIDE
N(benzo(d)(13)dioxol5ylmethyl)2(3(tertbutyl)5methyl7oxo7Hfuro(32g)chromen6yl)acetamide
ZINC000008751970
ZINC08751970
ZINC8751970

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Available files

Download the SDF, MOL, 3D structure and SDS documents from Vitas-M.