Vitas-M small molecule compound
3-benzyl-4,7-dimethyl-2-oxo-2H-chromen-5-yl N-(tert-butoxycarbonyl)isoleucinate
Catalog ID
STL533727
SMILES CCC(C(C(=O)Oc1cc(C)cc2c1c(C)c(c(=O)o2)Cc1ccccc1)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 C29H35NO6 MW 493.60 g/mol Purity >90% as per NMR
InChI
InChI=1S/C29H35NO6/c1-8-18(3)25(30-28(33)36-29(5,6)7)27(32)35-23-15-17(2)14-22-24(23)19(4)21(26(31)34-22)16-20-12-10-9-11-13-20/h9-15,18,25H,8,16H2,1-7H3,(H,30,33)InChIKey
QPKUWIOBTNWIKZ-UHFFFAOYSA-NSynonyms
(2S3R)3benzyl47dimethyl2oxo2Hchromen5yl2((tertbutoxycarbonyl)amino)3methylpentanoate
(3BENZYL47DIMETHYL2OXOCHROMEN5YL)3METHYL2((2METHYLPROPAN2YL)OXYCARBONYLAMINO)PENTANOATE
3benzyl47dimethyl2oxo2Hchromen5ylN(tertbutoxycarbonyl)isoleucinate
5147091
CC(C@H)((C@@H)(C(=O)Oc1cc(C)cc2c1c(C)c(c(=O)o2)Cc1ccccc1)NC(=O)OC(C)(C)C)C
InChI=1SC29H35NO6c1818(3)25(3028(33)3629(56)7)27(32)35231517(2)142224(23)19(4)21(26(31)3422)162012109111320h9151825H816H217H3(H3033)
MFCD31754009
ZINC000002149403
ZINC000016042362
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