Vitas-M small molecule compound
1-oxo-1-phenylpropan-2-yl 4-({5-[2-(3-nitrophenyl)-2-oxoethoxy]-5-oxopentanoyl}amino)benzoate
Catalog ID
STK286598
SMILES O=C(Nc1ccc(cc1)C(=O)OC(C(=O)c1ccccc1)C)CCCC(=O)OCC(=O)c1cccc(c1)[N+](=O)[O-]
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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 C29H26N2O9 MW 546.53 g/mol Purity >90% as per NMR
InChI
InChI=1S/C29H26N2O9/c1-19(28(35)20-7-3-2-4-8-20)40-29(36)21-13-15-23(16-14-21)30-26(33)11-6-12-27(34)39-18-25(32)22-9-5-10-24(17-22)31(37)38/h2-5,7-10,13-17,19H,6,11-12,18H2,1H3,(H,30,33)InChIKey
WCVQJTROSHNHNX-UHFFFAOYSA-NSynonyms
(1OXO1PHENYLPROPAN2YL)4((5(2(3NITROPHENYL)2OXOETHOXY)5OXOPENTANOYL)AMINO)BENZOATE
1oxo1phenylpropan2yl4((5(2(3nitrophenyl)2oxoethoxy)5oxopentanoyl)amino)benzoate
CC(C(=O)C1=CC=CC=C1)OC(=O)C2=CC=C(C=C2)NC(=O)CCCC(=O)OCC(=O)C3=CC(=CC=C3)(N+)(=O)(O)
InChI=1SC29H26N2O9c119(28(35)207324820)4029(36)21131523(161421)3026(33)1161227(34)391825(32)22951024(1722)31(37)38h25710131719H6111218H21H3(H3033)
MFCD03756831
O=C(Nc1ccc(cc1)C(=O)OC(C(=O)c1ccccc1)C)CCCC(=O)OCC(=O)c1cccc(c1)(N+)(=O)(O)
ZINC000097947936
ZINC000097947937
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