Vitas-M small molecule compound
(2E)-2-{[(3-methylphenyl)carbonyl]amino}-3-(3-nitrophenyl)prop-2-enoic acid
Catalog ID
STK381320
SMILES Cc1cccc(c1)C(=O)N/C(=C/c1cccc(c1)[N+](=O)[O-])/C(=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 C17H14N2O5 MW 326.31 g/mol Purity >90% as per NMR
InChI
InChI=1S/C17H14N2O5/c1-11-4-2-6-13(8-11)16(20)18-15(17(21)22)10-12-5-3-7-14(9-12)19(23)24/h2-10H,1H3,(H,18,20)(H,21,22)/b15-10+InChIKey
XROKULWYVKEDCT-XNTDXEJSSA-NSynonyms
(2E)2(((3methylphenyl)carbonyl)amino)3(3nitrophenyl)prop2enoicacid
(2E)2((3METHYLPHENYL)CARBONYLAMINO)3(3NITROPHENYL)PROP2ENOICACID
(E)2((3METHYLBENZOYL)AMINO)3(3NITROPHENYL)PROP2ENOICACID
CC1=CC=CC(=C1)C(=O)NC(=CC2=CC(=CC=C2)(N+)(=O)(O))C(=O)O
Cc1cccc(c1)C(=O)NC(=Cc1cccc(c1)(N+)(=O)(O))C(=O)O
InChI=1SC17H14N2O5c11142613(811)16(20)1815(17(21)22)101253714(912)19(23)24h210H1H3(H1820)(H2122)b1510+
MFCD02634115
ZINC000000446778
ZINC446778
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