Vitas-M small molecule compound
3-benzyl-4-methyl-2-oxo-2H-chromen-7-yl N-(tert-butoxycarbonyl)-beta-alaninate
Catalog ID
STL461768
SMILES O=C(Oc1ccc2c(c1)oc(=O)c(c2C)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 C25H27NO6 MW 437.49 g/mol Purity >90% as per NMR
InChI
InChI=1S/C25H27NO6/c1-16-19-11-10-18(30-22(27)12-13-26-24(29)32-25(2,3)4)15-21(19)31-23(28)20(16)14-17-8-6-5-7-9-17/h5-11,15H,12-14H2,1-4H3,(H,26,29)InChIKey
DHJVTBSRGFIKGF-UHFFFAOYSA-NSynonyms
858749-23-2(3BENZYL4METHYL2OXOCHROMEN7YL)3((2METHYLPROPAN2YL)OXYCARBONYLAMINO)PROPANOATE
3benzyl4methyl2oxo2Hchromen7yl3((tertbutoxycarbonyl)amino)propanoate
3benzyl4methyl2oxo2Hchromen7ylN(tertbutoxycarbonyl)betaalaninate
858749232
CC1=C(C(=O)OC2=C1C=CC(=C2)OC(=O)CCNC(=O)OC(C)(C)C)CC3=CC=CC=C3
InChI=1SC25H27NO6c11619111018(3022(27)12132624(29)3225(23)4)1521(19)3123(28)20(16)14178657917h51115H1214H214H3(H2629)
MFCD03851873
ZINC000002150470
ZINC02150470
ZINC2150470
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