Vitas-M small molecule compound
3-benzyl-4,7-dimethyl-2-oxo-2H-chromen-5-yl N-(tert-butoxycarbonyl)-beta-alaninate
Catalog ID
STL462417
SMILES O=C(OC(C)(C)C)NCCC(=O)Oc1cc(C)cc2c1c(C)c(c(=O)o2)Cc1ccccc1
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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 C26H29NO6 MW 451.52 g/mol Purity >90% as per NMR
InChI
InChI=1S/C26H29NO6/c1-16-13-20(31-22(28)11-12-27-25(30)33-26(3,4)5)23-17(2)19(24(29)32-21(23)14-16)15-18-9-7-6-8-10-18/h6-10,13-14H,11-12,15H2,1-5H3,(H,27,30)InChIKey
SSOZZZCZXFVIAU-UHFFFAOYSA-NSynonyms
858744-19-1(3BENZYL47DIMETHYL2OXOCHROMEN5YL)3((2METHYLPROPAN2YL)OXYCARBONYLAMINO)PROPANOATE
3benzyl47dimethyl2oxo2Hchromen5yl3((tertbutoxycarbonyl)amino)propanoate
3benzyl47dimethyl2oxo2Hchromen5ylN(tertbutoxycarbonyl)betaalaninate
858744191
CC1=CC2=C(C(=C(C(=O)O2)CC3=CC=CC=C3)C)C(=C1)OC(=O)CCNC(=O)OC(C)(C)C
InChI=1SC26H29NO6c1161320(3122(28)11122725(30)3326(34)5)2317(2)19(24(29)3221(23)1416)151897681018h6101314H111215H215H3(H2730)
MFCD03851464
ZINC000002149276
ZINC02149276
ZINC2149276
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