Vitas-M small molecule compound
4-ethyl-7-methyl-2-oxo-2H-chromen-5-yl N-(tert-butoxycarbonyl)-D-isoleucinate
Catalog ID
STL531871
SMILES CC[C@@H]([C@H](C(=O)Oc1cc(C)cc2c1c(CC)cc(=O)o2)NC(=O)OC(C)(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 C23H31NO6 MW 417.50 g/mol Purity >90% as per NMR
InChI
InChI=1S/C23H31NO6/c1-8-14(4)20(24-22(27)30-23(5,6)7)21(26)29-17-11-13(3)10-16-19(17)15(9-2)12-18(25)28-16/h10-12,14,20H,8-9H2,1-7H3,(H,24,27)/t14-,20+/m0/s1InChIKey
WNKHATFLYYUMCW-VBKZILBWSA-NSynonyms
(2S3R)4ethyl7methyl2oxo2Hchromen5yl2((tertbutoxycarbonyl)amino)3methylpentanoate
(4ethyl7methyl2oxochromen5yl)(2~(R)3~(S))3methyl2((2methylpropan2yl)oxycarbonylamino)pentanoate
4ethyl7methyl2oxo2Hchromen5ylN(tertbutoxycarbonyl)Disoleucinate
6568177
CC(C@H)((C@@H)(C(=O)Oc1cc(C)cc2c1c(CC)cc(=O)o2)NC(=O)OC(C)(C)C)C
InChI=1SC23H31NO6c1814(4)20(2422(27)3023(56)7)21(26)29171113(3)101619(17)15(92)1218(25)2816h10121420H89H217H3(H2427)t1420+m0s1
ZINC000016042434
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