Vitas-M small molecule compound

4-butyl-2-oxo-2H-chromen-7-yl N-(tert-butoxycarbonyl)-beta-alaninate

Catalog ID
STL514502
SMILES CCCCc1cc(=O)oc2c1ccc(c2)OC(=O)CCNC(=O)OC(C)(C)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 C21H27NO6 MW 389.45 g/mol Purity >90% as per NMR
InChI
InChI=1S/C21H27NO6/c1-5-6-7-14-12-19(24)27-17-13-15(8-9-16(14)17)26-18(23)10-11-22-20(25)28-21(2,3)4/h8-9,12-13H,5-7,10-11H2,1-4H3,(H,22,25)
InChIKey
LBXMSTFKIHFPKQ-UHFFFAOYSA-N
Synonyms
858760-71-1
(4BUTYL2OXOCHROMEN7YL)3((2METHYLPROPAN2YL)OXYCARBONYLAMINO)PROPANOATE
1802086
4BUTYL2OXO2HCHROMEN7YL3((TERTBUTOXYCARBONYL)AMINO)PROPANOATE
4butyl2oxo2Hchromen7ylN(tertbutoxycarbonyl)betaalaninate
858760711
InChI=1SC21H27NO6c1567141219(24)27171315(8916(14)17)2618(23)10112220(25)2821(23)4h891213H571011H214H3(H2225)
MFCD03854341
ZINC000002152006
ZINC2152006

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Available files

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