Vitas-M small molecule compound
[(3E)-3-[(4-chlorophenyl)(hydroxy)methylidene]-2-(2-nitrophenyl)-4,5-dioxopyrrolidin-1-yl]acetic acid
Catalog ID
STK584306
SMILES OC(=O)CN1C(=O)C(=O)/C(=C(\c2ccc(cc2)Cl)/O)/C1c1ccccc1[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 C19H13ClN2O7 MW 416.77 g/mol Purity >90% as per NMR
InChI
InChI=1S/C19H13ClN2O7/c20-11-7-5-10(6-8-11)17(25)15-16(12-3-1-2-4-13(12)22(28)29)21(9-14(23)24)19(27)18(15)26/h1-8,16,25H,9H2,(H,23,24)/b17-15+InChIKey
NCVQBTBIWQKPCG-BMRADRMJSA-NSynonyms
((3E)3((4chlorophenyl)(hydroxy)methylidene)2(2nitrophenyl)45dioxopyrrolidin1yl)aceticacid
2((3E)3((4CHLOROPHENYL)HYDROXYMETHYLIDENE)2(2NITROPHENYL)45DIOXOPYRROLIDIN1YL)ACETICACID
C1=CC=C(C(=C1)C2C(=C(C3=CC=C(C=C3)Cl)O)C(=O)C(=O)N2CC(=O)O)(N+)(=O)(O)
InChI=1SC19H13ClN2O7c20117510(6811)17(25)1516(12312413(12)22(28)29)21(914(23)24)19(27)18(15)26h181625H9H2(H2324)b1715+
MFCD07203378
OC(=O)CN1C(=O)C(=O)C(=C(c2ccc(cc2)Cl)O)C1c1ccccc1(N+)(=O)(O)
ZINC000009363651
ZINC000102596738
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