Vitas-M small molecule compound

2-methyl-3-(4-nitrophenyl)-4-oxo-4H-chromen-7-yl N-(tert-butoxycarbonyl)leucinate

Catalog ID
STL298402
SMILES CC(CC(C(=O)Oc1ccc2c(c1)oc(c(c2=O)c1ccc(cc1)[N+](=O)[O-])C)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 C27H30N2O8 MW 510.54 g/mol Purity >90% as per NMR
InChI
InChI=1S/C27H30N2O8/c1-15(2)13-21(28-26(32)37-27(4,5)6)25(31)36-19-11-12-20-22(14-19)35-16(3)23(24(20)30)17-7-9-18(10-8-17)29(33)34/h7-12,14-15,21H,13H2,1-6H3,(H,28,32)
InChIKey
FLXKCXNYAWIORB-UHFFFAOYSA-N
Synonyms
1396996-13-6
(2METHYL3(4NITROPHENYL)4OXOCHROMEN7YL)4METHYL2((2METHYLPROPAN2YL)OXYCARBONYLAMINO)PENTANOATE
1396996136
2methyl3(4nitrophenyl)4oxo4Hchromen7yl2((tertbutoxycarbonyl)amino)4methylpentanoate
2methyl3(4nitrophenyl)4oxo4Hchromen7ylN(tertbutoxycarbonyl)leucinate
2TERTBUTOXYCARBONYLAMINO4METHYLPENTANOICACID2METHYL3(4NITROPHENYL)4OXO4HCHROMEN7YLESTER
CC(CC(C(=O)Oc1ccc2c(c1)oc(c(c2=O)c1ccc(cc1)(N+)(=O)(O))C)NC(=O)OC(C)(C)C)C
CC1=C(C(=O)C2=C(O1)C=C(C=C2)OC(=O)C(CC(C)C)NC(=O)OC(C)(C)C)C3=CC=C(C=C3)(N+)(=O)(O)
InChI=1SC27H30N2O8c115(2)1321(2826(32)3727(45)6)25(31)361911122022(1419)3516(3)23(24(20)30)177918(10817)29(33)34h712141521H13H216H3(H2832)
MFCD01562818
ZINC000008691497
ZINC000008952447

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Available files

Download the SDF, MOL, 3D structure and SDS documents from Vitas-M.