Vitas-M small molecule compound
methyl 4-{[(2E)-3-(4-chloro-3-nitrophenyl)prop-2-enoyl]amino}benzoate
Catalog ID
STK148354
SMILES COC(=O)c1ccc(cc1)NC(=O)/C=C/c1ccc(c(c1)[N+](=O)[O-])Cl
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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 C17H13ClN2O5 MW 360.75 g/mol Purity >90% as per NMR
InChI
InChI=1S/C17H13ClN2O5/c1-25-17(22)12-4-6-13(7-5-12)19-16(21)9-3-11-2-8-14(18)15(10-11)20(23)24/h2-10H,1H3,(H,19,21)/b9-3+InChIKey
YZWDRRHABCBYSC-YCRREMRBSA-NSynonyms
COC(=O)C1=CC=C(C=C1)NC(=O)C=CC2=CC(=C(C=C2)Cl)(N+)(=O)(O)
COC(=O)c1ccc(cc1)NC(=O)C=Cc1ccc(c(c1)(N+)(=O)(O))Cl
InChI=1SC17H13ClN2O5c12517(22)124613(7512)1916(21)93112814(18)15(1011)20(23)24h210H1H3(H1921)b93+
METHYL4(((2E)3(4CHLORO3NITROPHENYL)PROP2ENOYL)AMINO)BENZOATE
METHYL4(((E)3(4CHLORO3NITROPHENYL)PROP2ENOYL)AMINO)BENZOATE
MFCD03145804
ZINC000013880550
ZINC13880550
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