Vitas-M small molecule compound
3-[(1,3-benzodioxol-5-ylcarbonyl)amino]-3-(3-nitrophenyl)propanoic acid
Catalog ID
STK680140
SMILES OC(=O)CC(c1cccc(c1)[N+](=O)[O-])NC(=O)c1ccc2c(c1)OCO2
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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 C17H14N2O7 MW 358.31 g/mol Purity >90% as per NMR
InChI
InChI=1S/C17H14N2O7/c20-16(21)8-13(10-2-1-3-12(6-10)19(23)24)18-17(22)11-4-5-14-15(7-11)26-9-25-14/h1-7,13H,8-9H2,(H,18,22)(H,20,21)InChIKey
MUDWFGLRMCBQNN-UHFFFAOYSA-NSynonyms
(3R)3((13BENZODIOXOL5YLCARBONYL)AMINO)3(3NITROPHENYL)PROPANOICACID
3((13benzodioxol5ylcarbonyl)amino)3(3nitrophenyl)propanoicacid
3(13BENZODIOXOLE5CARBONYLAMINO)3(3NITROPHENYL)PROPANOICACID
3(2HBENZO(D)13DIOXOLAN5YLCARBONYLAMINO)3(3NITROPHENYL)PROPANOICACID
C1OC2=C(O1)C=C(C=C2)C(=O)NC(CC(=O)O)C3=CC(=CC=C3)(N+)(=O)(O)
InChI=1SC17H14N2O7c2016(21)813(1021312(610)19(23)24)1817(22)11451415(711)2692514h1713H89H2(H1822)(H2021)
MFCD03761318
OC(=O)CC(c1cccc(c1)(N+)(=O)(O))NC(=O)c1ccc2c(c1)OCO2
ZINC000004601996
ZINC000004601998
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