Vitas-M small molecule compound
N-{2-[(3E)-3-[(4-chlorophenyl)(hydroxy)methylidene]-2-(4-nitrophenyl)-4,5-dioxopyrrolidin-1-yl]ethyl}acetamide
Catalog ID
STL045266
SMILES CC(=O)NCCN1C(=O)C(=O)/C(=C(\c2ccc(cc2)Cl)/O)/C1c1ccc(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 C21H18ClN3O6 MW 443.84 g/mol Purity >90% as per NMR
InChI
InChI=1S/C21H18ClN3O6/c1-12(26)23-10-11-24-18(13-4-8-16(9-5-13)25(30)31)17(20(28)21(24)29)19(27)14-2-6-15(22)7-3-14/h2-9,18,27H,10-11H2,1H3,(H,23,26)/b19-17+InChIKey
UELKQDQTMCRGHS-HTXNQAPBSA-NSynonyms
425415-96-9425415969
CC(=O)NCCN1C(=O)C(=O)C(=C(c2ccc(cc2)Cl)O)C1c1ccc(cc1)(N+)(=O)(O)
CC(=O)NCCN1C(C(=C(C2=CC=C(C=C2)Cl)O)C(=O)C1=O)C3=CC=C(C=C3)(N+)(=O)(O)
InChI=1SC21H18ClN3O6c112(26)2310112418(134816(9513)25(30)31)17(20(28)21(24)29)19(27)142615(22)7314h291827H1011H21H3(H2326)b1917+
MFCD03799429
N(2((3E)3((4chlorophenyl)(hydroxy)methylidene)2(4nitrophenyl)45dioxopyrrolidin1yl)ethyl)acetamide
N(2((3E)3((4CHLOROPHENYL)HYDROXYMETHYLIDENE)2(4NITROPHENYL)45DIOXOPYRROLIDIN1YL)ETHYL)ACETAMIDE
ZINC000101478471
ZINC000101478473
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