Vitas-M small molecule compound
3-benzyl-6-chloro-4-methyl-2-oxo-2H-chromen-7-yl N-(tert-butoxycarbonyl)-beta-alaninate
Catalog ID
STL226642
SMILES O=C(Oc1cc2oc(=O)c(c(c2cc1Cl)C)Cc1ccccc1)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 C25H26ClNO6 MW 471.94 g/mol Purity >90% as per NMR
InChI
InChI=1S/C25H26ClNO6/c1-15-17-13-19(26)21(31-22(28)10-11-27-24(30)33-25(2,3)4)14-20(17)32-23(29)18(15)12-16-8-6-5-7-9-16/h5-9,13-14H,10-12H2,1-4H3,(H,27,30)InChIKey
BJVRAKOGQJAEJI-UHFFFAOYSA-NSynonyms
840516-96-3(3BENZYL6CHLORO4METHYL2OXOCHROMEN7YL)3((2METHYLPROPAN2YL)OXYCARBONYLAMINO)PROPANOATE
3benzyl6chloro4methyl2oxo2Hchromen7yl3((tertbutoxycarbonyl)amino)propanoate
3benzyl6chloro4methyl2oxo2Hchromen7ylN(tertbutoxycarbonyl)betaalaninate
840516963
CC1=C(C(=O)OC2=CC(=C(C=C12)Cl)OC(=O)CCNC(=O)OC(C)(C)C)CC3=CC=CC=C3
InChI=1SC25H26ClNO6c115171319(26)21(3122(28)10112724(30)3325(23)4)1420(17)3223(29)18(15)12168657916h591314H1012H214H3(H2730)
MFCD04010656
ZINC000002334939
ZINC02334939
ZINC2334939
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