Vitas-M small molecule compound
2-(4-nitrophenyl)-2-oxoethyl 4-(3-hydroxy-3-methylbut-1-yn-1-yl)benzoate
Catalog ID
STK136380
SMILES O=C(c1ccc(cc1)C#CC(O)(C)C)OCC(=O)c1ccc(cc1)[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 C20H17NO6 MW 367.36 g/mol Purity >90% as per NMR
InChI
InChI=1S/C20H17NO6/c1-20(2,24)12-11-14-3-5-16(6-4-14)19(23)27-13-18(22)15-7-9-17(10-8-15)21(25)26/h3-10,24H,13H2,1-2H3InChIKey
KPGXJDKJSNIVMX-UHFFFAOYSA-NSynonyms
(2(4NITROPHENYL)2OXOETHYL)4(3HYDROXY3METHYLBUT1YNYL)BENZOATE
2(4NITROPHENYL)2OXOETHYL4(3HYDROXY3METHYLBUT1YN1YL)BENZOATE
CC(C)(C#CC1=CC=C(C=C1)C(=O)OCC(=O)C2=CC=C(C=C2)(N+)(=O)(O))O
InChI=1SC20H17NO6c120(224)1211143516(6414)19(23)271318(22)157917(10815)21(25)26h31024H13H212H3
MFCD02210809
O=C(c1ccc(cc1)C#CC(O)(C)C)OCC(=O)c1ccc(cc1)(N+)(=O)(O)
ZINC000001220181
ZINC01220181
ZINC1220181
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