Vitas-M small molecule compound
3-benzyl-4,7-dimethyl-2-oxo-2H-chromen-5-yl N-(tert-butoxycarbonyl)-D-valinate
Catalog ID
STL530998
SMILES O=C(OC(C)(C)C)N[C@@H](C(=O)Oc1cc(C)cc2c1c(C)c(c(=O)o2)Cc1ccccc1)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 C28H33NO6 MW 479.57 g/mol Purity >90% as per NMR
InChI
InChI=1S/C28H33NO6/c1-16(2)24(29-27(32)35-28(5,6)7)26(31)34-22-14-17(3)13-21-23(22)18(4)20(25(30)33-21)15-19-11-9-8-10-12-19/h8-14,16,24H,15H2,1-7H3,(H,29,32)/t24-/m1/s1InChIKey
RGAIWFFHEZVADZ-XMMPIXPASA-NSynonyms
(3benzyl47dimethyl2oxochromen5yl)(2~(R))3methyl2((2methylpropan2yl)oxycarbonylamino)butanoate
(S)3benzyl47dimethyl2oxo2Hchromen5yl2((tertbutoxycarbonyl)amino)3methylbutanoate
3benzyl47dimethyl2oxo2Hchromen5ylN(tertbutoxycarbonyl)Dvalinate
6568498
InChI=1SC28H33NO6c116(2)24(2927(32)3528(56)7)26(31)34221417(3)132123(22)18(4)20(25(30)3321)15191198101219h8141624H15H217H3(H2932)t24m1s1
O=C(OC(C)(C)C)N(C@H)(C(=O)Oc1cc(C)cc2c1c(C)c(c(=O)o2)Cc1ccccc1)C(C)C
ZINC000016042685
ZINC16042685
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